Dimethyl-(3-nitrobenzyl)-amine

HCID 308050
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Basic information

CAS
15184-95-9
Standard SMILES
CN(C)Cc1cccc([N+](=O)[O-])c1
InChIKey
IGGSKKPPZAJIFN-UHFFFAOYSA-N
Molecular formula
C9H12N2O2
Average molar mass
180.2 g/mol
Monoisotopic mass
180.08987762

Names & identifiers

Preferred name
Dimethyl-(3-nitrobenzyl)-amine
IUPAC
N,N-dimethyl-1-(3-nitrophenyl)methanamine
English name
Benzenemethanamine,N,N-dimethyl-3-nitro-
Molecular formula
C9H12N2O2
Molecular weight
180.2

Names & synonyms

15184-95-9Dimethyl-(3-nitrobenzyl)-amineDTXSID90308688RefChem:338794DTXCID00259814(3-nitrophenyl)-N,N-dimethylmethanamineN,N-dimethyl-1-(3-nitrophenyl)methanamineN,N-dimethyl-3-nitrobenzylamineBenzenemethanamine, N,N-dimethyl-3-nitro-BENZENEMETHANAMINE,N,N-DIMETHYL-3-NITRO-MFCD00036112NSC207807
Show more names
(3-Nitrophenyl)-N,N-dimethylmethanamine - [N89532]
SCHEMBL591107SCHEMBL1097545SCHEMBL27389803IGGSKKPPZAJIFN-UHFFFAOYSA-Nbenzylamine, N,N-dimethyl-3-nitro-N-(3-nitrophenylmethyl)dimethylamineAKOS005216494NSC-207807

Database identifiers

CAS
15184-95-9
PubChem CID
308050
DTXSID
DTXSID90308688
Nikkaji
J684.062K

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
49.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
13

Physicochemical properties

Boiling point
195 °C · 195 °C(Press: 18 Torr)
Density
1.141 · 1.141±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C, protect from light
pka
8.17 · 8.17±0.28(Predicted)
Appearance
Light yellow to yellow Liquid
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers6 total

江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]

Related reactions

9 records
New reaction record

Compound notes

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