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Cyclohexylamine, N,N-dimethyl-1-phenyl-

HCID 137487
NotesReactions

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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
2201-17-4
Standard SMILES
CN(C)C1(c2ccccc2)CCCCC1
InChIKey
FQPQJXVSQZUUQU-UHFFFAOYSA-N
Molecular formula
C14H21N
Average molar mass
203.32 g/mol
Monoisotopic mass
203.16739967

Names & identifiers

Preferred name
Cyclohexylamine, N,N-dimethyl-1-phenyl-
IUPAC
N,N-dimethyl-1-phenylcyclohexan-1-amine
English name
N,N-Dimethyl-1-phenylcyclohexanamine
Molecular formula
C14H21N
Molecular weight
203.32

Names & synonyms

2201-17-4Cyclohexylamine, N,N-dimethyl-1-phenyl-N,N-DIMETHYL-1-PHENYLCYCLOHEXYLAMINEDTXSID10176447RefChem:580846DTXCID4098938636-643-4N,N-dimethyl-1-phenylcyclohexan-1-amineN,N-Dimethyl-1-phenylcyclohexanamineCyclohexylamine, N,N-dimethyl-1-phenyl-,Cyclohexanamine, N,N-dimethyl-1-phenyl-CHEMBL254026
Show more names
SCHEMBL2782210SCHEMBL62497834-dimethylamino-4-phenylcyclohexaneDGA82150AKOS024323379N,N-Dimethyl-1-phenylcyclohexanamine #

Database identifiers

CAS
2201-17-4
PubChem CID
137487
DTXSID
DTXSID10176447
ChEMBL
CHEMBL254026
EC Number
636-643-4
Nikkaji
J294.318B

Properties

Computed structural propertiesFilling in

XLogP
3.4
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
186

Physicochemical properties

Symbol(GHS)
6 · GHS06
Signal word
Danger
Hazard statements
319 · H319-H315-H335-H301
Precautionary statements
264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

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 · 5 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (100%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS06
Hazard statements
H319-H315-H335-H301
Precautionary statements
P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Suppliers4 total

Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
上海右肯医药科技有限公司021-37910267 15821801668 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]

Related reactions

3 records
New reaction record
HRID 1201697 reaction equation
HRID 1201697As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2357432 reaction equation
HRID 2357432As reactantuspto-grants-2010_07
HRID 2357435 reaction equation
HRID 2357435As reactantuspto-grants-2010_07

Compound notes

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