Basic information
- CAS
767-92-0- Standard SMILES
C1CC[C@@H]2NCCC[C@H]2C1- InChIKey
POTIYWUALSJREP-BDAKNGLRSA-N- Molecular formula
- C9H17N
- Average molar mass
- 139.24 g/mol
- Monoisotopic mass
- 139.13609955
Names & identifiers
- Preferred name
- Quinoline, decahydro-, (4aR,8aS)-rel-
- IUPAC
- (4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
- English name
- trans-Decahydroquinoline
- Molecular formula
- C9H17N
- Molecular weight
- 139.24
Names & synonyms
trans-DecahydroquinolineQuinoline, decahydro-, (4aR,8aS)-rel-EINECS 212-189-9DTXSID60883351rel-(4aR,8aS)-DecahydroquinolineRefChem:872025DTXCID901022888212-189-9N-Nitroso-3,3-dimethyl-2-phenyldecahydroquinolin-4-one767-92-0(4aR,8aS)-decahydroquinolineMFCD00137755
Show more names
trans-quinolinquinoline,decahydro-,trans-trans-Decahydroquinoline>trans-Decahydroquinoline
(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline105728-23-21119900-30-9DL-trans-DecahydroquinolineDecahydroquinoline, (E)-trans-decahydroquino-lineSCHEMBL90804trans-Decahydroquinoline, 97%
Database identifiers
- CAS
767-92-0- PubChem CID
- 66078
- DTXSID
DTXSID60883351- EC Number
- 212-189-9
- Nikkaji
- J221.348F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 111
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 48 °C · 48 °C
- Boiling point
- 203 °C · 203 °C / 735mmHg
- Density
- 0.9214 · 0.9214 (rough estimate)
- refractive index
- 1.492 · 1.4920 (estimate)
- Flash point
- 72 ℃ · 72℃
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 10.85 · 10.85±0.10(Predicted)
- color
- White to Light yellow to Light orange
- InChI
- 1S/C9H17N/c1-2-6-9-8(4-1)5-3-7-10-9/h8-10H,1-7H2/t8-,9+/m1/s1
- InChIKey
- POTIYWUALSJREP-BDAKNGLRSA-N
- SMILES
- C1CC[C@@H]2NCCC[C@H]2C1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- NA 1993 / PGIII
- hs_code
- 2933998090
- risk_code
- 36/37/38-51/53-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xn,N
- safety_code
- 26-36-61
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335-H411
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P273-P301+P312+P330-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationQuinoline, decahydro-, (4aR,8aS)-rel-: INACTIVE
Suppliers48 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
湖北研科时代科技有限公司15780669880 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
湖北威德利化学试剂有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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