Benzenemethanamine, ar-ethenyl-N,N-dimethyl-

HCID 519956

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Basic information

CAS: 2245-52-5
Standard SMILES: C=Cc1ccc(CN(C)C)cc1
InChIKey: XQBHAZDVLGNSOJ-UHFFFAOYSA-N
Molecular formula: C11H15N
Average molar mass: 161.24 g/mol
Monoisotopic mass: 161.12044948

Names & identifiers

Preferred name: Benzenemethanamine, ar-ethenyl-N,N-dimethyl-
IUPAC: 1-(4-ethenylphenyl)-N,N-dimethylmethanamine
English name: (Dimethylaminomethyl)styrene
Molecular formula: C11H15N
Molecular weight: 161.24

Names & synonyms

N-(4-Vinylbenzyl)-N,N-dimethylamineBenzenemethanamine, ar-ethenyl-N,N-dimethyl-N-(Vinylbenzyl)dimethylamineRefChem:563315EINECS 256-875-6696-066-92245-52-5N,N-dimethyl-1-(4-vinylphenyl)methanamineBenzenemethanamine, 4-ethenyl-N,N-dimethyl-(Dimethylaminomethyl)styreneBenzylamine, N,N-dimethyl-p-vinyl-50976-17-5

Show more names

VINYLBENZYLDIMETHYLAMINEN-(4-Vinylbenzyl)-N,N-dimethylaminN-(4-VINYLBENZYL)-N,N-DIMETHYL AMINE(4-ethenylphenyl)methyl-dimethylazanium(4-ethenylphenyl)-N,N-dimethylmethanaminium

1-(4-ethenylphenyl)-N,N-dimethylmethanamineMFCD00078270[(4-ETHENYLPHENYL)METHYL]DIMETHYLAMINEN,N-Dimethyl-4'-vinylbenzylaminep-dimethylaminomethylstyrenen,n-dimethylvinylbenzylamineSCHEMBL465236N,N-Dimethyl-4-vinylbenzylamine

Database identifiers

CAS: 2245-52-5、50976-17-5
PubChem CID: 519956
DTXSID: DTXSID90427045
EC Number: 696-066-9
Nikkaji: J798.764A

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 132

Physicochemical properties

Boiling point: 217.3 ℃ · 217.3℃
Density: 0.937 · 0.937
refractive index: 1.538 · 1.5380
Flash point: 77.3 ℃ · 77.3℃
storage temp.: Refrigerator (+4°C)
pka: 8.82 · 8.82±0.28(Predicted)
form: Liquid
color: Clear yellow to brown
InChI: InChI=1S/C11H15N/c1-4-10-5-7-11(8-6-10)9-12(2)3/h4-8H,1,9H2,2-3H3
InChIKey: XQBHAZDVLGNSOJ-UHFFFAOYSA-N
SMILES: C1(CN(C)C)=CC=C(C=C)C=C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-41
Safety Statements: 26 · 26-39
HS Code: 29214990 · 29214990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

hs_code: 29214990
risk_code: 36/37/38-41
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-39
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501