Starbld0010985
Also known as (4aR,10bR)-3,4,4a,5,6,10b-Hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol hydrochloride
Key facts
What buyers check first
- Formula
- C12H16ClNO2
- Molar mass
- 241.72 g/mol
- HS code
- 293499
- Category
- Heterocyclic building blocks
What is Starbld0010985?
Plain description, key identifiers and synonyms
Starbld0010985 is a chemical substance with the molecular formula C12H16ClNO2 and a molar mass of 241.72 g/mol. The IUPAC name is (4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazin-9-ol, hydrochloride.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazin-9-ol, hydrochloride
- Molecular formula
- C12H16ClNO2
- InChIKey
- ZSTHSLBOCJXONG-LYCTWNKOSA-N
- InChI
- InChI=1S/C12H15NO2.ClH/c14-9-3-1-8-2-4-11-12(10(8)7-9)15-6-5-13-11;/h1,3,7,11-14H,2,4-6H2;1H/t11-,12+;/m1./s1
- Canonical SMILES
- Cl.Oc1ccc2c(c1)C1OCCNC1CC2
- Isomeric SMILES
- C1CC2=C(C=C(C=C2)O)[C@H]3[C@@H]1NCCO3.Cl
Synonyms
- (4aR,10bR)-3,4,4a,5,6,10b-Hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol hydrochloride
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 241.72 g/molcalc.Computed value |
|---|---|
| Exact mass | 241.087 Dacalc.Computed value |
| LogP (octanol/water) | 1.79calc.Computed value |
| Topological polar surface area | 41.49 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 0calc.Computed value |
| Heavy atoms | 16calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.5calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 2calc.Computed value |
| Components | 2calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Starbld0010985 suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
Post one free request and suppliers who make or trade Starbld0010985 can send you quotes. Your contact details stay private until you accept a quote.
Starbld0010985 price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Starbld0010985 is traded under.
Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934
- United States24.5%
- Germany23.1%
- Japan4.5%
The HS code shown for Starbld0010985 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Parent compound
The neutral parent of this salt, hydrate or mixture
Stereoisomers and isotopic forms
Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)
![(+)-3,4,4a,5,6,10b-Hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol Hydrochloride chemical structure, C12H16ClNO2, CAS 858517-21-2](/s/ZSTHSLBOCJXONG-MMFRDWCLSA-N.svg)
![(4aS)-3,4,4a,5,6,10b-Hexahydro-2H-benzo[h][1,4]benzoxazin-9-ol, hydrochloride chemical structure, C12H16ClNO2, CAS 1322623-41-5](/s/ZSTHSLBOCJXONG-YLIVSKOQSA-N.svg)
![2H,3H,4H,4aH,5H,6H,10bH-naphtho[1,2-b][1,4]oxazin-9-ol hydrochloride chemical structure, C12H16ClNO2](/s/ZSTHSLBOCJXONG-UHFFFAOYSA-N.svg)
![(+)-3,4,4a,5,6,10b-Hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol Hydrochloride chemical structure, C12H16ClNO2](/s/ZSTHSLBOCJXONG-MNMPKAIFSA-N.svg)
![(-)-3,4,4a,5,6,10b-Hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol, Hydrochloride chemical structure, C12H16ClNO2](/s/ZSTHSLBOCJXONG-FXMYHANSSA-N.svg)
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
![(4aS,10bS)-2H,3H,4H,4aH,5H,6H,10bH-naphtho[1,2-b][1,4]oxazin-9-ol chemical structure, C12H15NO2, CAS 858517-29-0](/s/RCTXZLWJOZFFFZ-RYUDHWBXSA-N.svg)
![(4aS)-3,4,4a,5,6,10b-Hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol chemical structure, C12H15NO2, CAS 1322879-85-5](/s/RCTXZLWJOZFFFZ-PXYINDEMSA-N.svg)
![9-Methoxy-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazine, hydrochloride chemical structure, C13H18ClNO2, CAS 1422164-57-5](/s/WICOLYXLUGQKHB-UHFFFAOYSA-N.svg)
![(+)-3,4,4a,5,6,10b-Hexahydro-9-methoxy-2H-naphtho[1,2-b][1,4]oxazin, Hydrochloride chemical structure, C13H18ClNO2](/s/WICOLYXLUGQKHB-OJERSXHUSA-N.svg)
![(+)-3,4,4a,5,6,10b-Hexahydro-9-methoxy-2H-naphtho[1,2-b][1,4]oxazin, HCl chemical structure, C13H18ClNO2, CAS 99833-85-9](/s/WICOLYXLUGQKHB-QNTKWALQSA-N.svg)
![rel-(4aS,10bS)-9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazine chemical structure, C13H17NO2, CAS 88058-96-2](/s/ZBQMPCXNGKZCPK-STQMWFEESA-N.svg)
Same formula isomers
Different compounds that share this molecular formula
![3-[(Pyrrolidin-1-yl)methyl]benzoic acid hydrochloride chemical structure, C12H16ClNO2, CAS 887922-93-2](/s/BORITTZEFSYNFT-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about Starbld0010985, based on the data on this page
What is Starbld0010985?
What is the molecular formula and weight of Starbld0010985?
What is Starbld0010985 used for?
Is Starbld0010985 hazardous?
What is the HS code of Starbld0010985?
Where can I buy Starbld0010985?
What is the price of Starbld0010985?
Guides for buyers
Practical guides that help when you source, ship or handle Starbld0010985
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
Get quotes for Starbld0010985
Embed this structure on your websiteShow code
Paste this code into your page to show the 2D structure of Starbld0010985 with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.
<iframe src="https://www.compoundlist.com/embed/structure/starbld0010985-cid-155896860" title="Starbld0010985 structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>Explore more in Heterocyclic building blocks or HS code 293499