Basic information
- CAS
19992-43-9- Standard SMILES
NC1CCCC(c2ccccc2)C1- InChIKey
CJRUDCMOPMVAIB-UHFFFAOYSA-N- Molecular formula
- C12H17N
- Average molar mass
- 175.27 g/mol
Names & identifiers
- Preferred name
- 3-Phenylcyclohexan-1-amine
- IUPAC
- 3-phenylcyclohexan-1-amine
- English name
- 3-Phenyl-cyclohexylamine
- Molecular formula
- C12H17N
- Molecular weight
- 175.27
Names & synonyms
3-phenylcyclohexan-1-amine19992-43-9RefChem:504942984-025-03-PHENYL-CYCLOHEXYLAMINE3-phenylcyclohexanamineMFCD15474859SCHEMBL1570353SCHEMBL7052946CJRUDCMOPMVAIB-UHFFFAOYSA-NUAA99243AKOS013315495
Show more names
Cyclohexanamine, 3-phenyl-
AT30709SB35147DB-128436CS-0309338EN300-176386F718908Z1233210460
Database identifiers
- CAS
19992-43-9- PubChem CID
- 3028128
- EC Number
- 984-025-0
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 278.6 · 278.6±29.0 °C(Predicted)
- Density
- 0.983 · 0.983±0.06 g/cm3(Predicted)
- pka
- 10.39 · 10.39±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses3-Phenylcyclohexan-1-amine is used to prepare bipiperidinylcarbonylpyrimidine derivs. and analogs for use as CCR2 receptor antagonists.
Suppliers8 total
海济医药科技（苏州）有限公司18012778619 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
长沙晶康新材料科技有限公司0733-0731-85118349 18229890050 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海智乾生物科技有限公司[email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
江苏药泽医药科技有限公司18550739526 · [email protected]
Related reactions
8 records
Compound notes
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