4-Phenylcyclohexylamine

HCID 29897
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Basic information

CAS
19992-45-1
Standard SMILES
NC1CCC(c2ccccc2)CC1
InChIKey
SJISCEAZUHNOMD-UHFFFAOYSA-N
Molecular formula
C12H17N
Average molar mass
175.27 g/mol
Monoisotopic mass
175.13609955

Names & identifiers

Preferred name
4-Phenylcyclohexylamine
IUPAC
4-phenylcyclohexan-1-amine
English name
4-Phenylcyclohexanamine
Molecular formula
C12H17N
Molecular weight
175.27

Names & synonyms

19992-45-14-PhenylcyclohexylamineEINECS 243-453-1DTXSID80173807RefChem:100372DTXCID3096298243-453-14-phenylcyclohexanamine4-Phenyl-cyclohexylamine4-phenylcyclohexan-1-aminecis-4-Phenyl-cyclohexylamine5992-23-4
Show more names
(E)-4-PhenylcyclohexanamineCyclohexylamine, 4-phenyl-, (E)-
CYCLOHEXANAMINE, 4-PHENYL-5769-10-8trans-4-Phenylcyclohexylaminetrans-4-phenyl-cyclohexylamine4-phenyl-1-cyclohexanamineMFCD00130038cis-4-phenylcyclohexanamine1-Amino-4-phenylcyclohexane

Database identifiers

CAS
19992-45-1、5769-10-8
PubChem CID
29897
DTXSID
DTXSID80173807
EC Number
243-453-1
Nikkaji
J77.891E、J81.126B、J82.917J

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Boiling point
278.6 · 278.6±29.0 °C(Predicted)
Density
0.983 · 0.983±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C(protect from light)
solubility
Chloroform (Slightly), DMSO (Sparingly), Methanol (Slightly)
pka
10.49 · 10.49±0.70(Predicted)
form
Semi-Solid

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, 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%)；Acute Tox. 4 (100%)；Skin Corr. 1B (100%)；Acute Tox. 4 (100%)

Safety data

hs_code
2921490090
Signal word
Danger
Symbol(GHS)
GHS05
hazard_code
Xi
hazard_class
IRRITANT
Hazard statements
H314

Chemistry & industry

Applications

Uses4-Phenylcyclohexanamine is a useful reagent for the preparation of aromatic compounds for treating conditions associated with STING activity.

Suppliers44 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [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]

Related reactions

19 records
New reaction record

Compound notes

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