3-(Aminomethyl)biphenyl

HCID 2760368CAS 177976-49-7
Substructure searchFind similar structures

Basic information

Standard SMILES
NCc1cccc(-c2ccccc2)c1
InChIKey
WKHABRRJMGVELW-UHFFFAOYSA-N
Molecular formula
C13H13N
Average molar mass
183.25 g/mol
Monoisotopic mass
183.10479942

Names & identifiers

Preferred name
3-(Aminomethyl)biphenyl
IUPAC
(3-phenylphenyl)methanamine
English name
3-PHENYLBENZYLAMINE
Molecular formula
C13H13N
Molecular weight
183.25

Names & synonyms

3-(Aminomethyl)biphenylRefChem:494132671-211-93-Phenylbenzylamine177976-49-7[1,1'-Biphenyl]-3-ylmethanamine(3-phenylphenyl)methanamine[1,1'-Biphenyl]-3-methanamineMFCD00270124CHEMBL4162063(3-phenylphenyl)methylamineBiphenyl-3-methanamine HCl
Show more names
TIMTEC-BB SBB007527RARECHEM AL BW 08853-Phenylbenzylamine ,98%3-(Aminomethyl)biphenyl 95%1,1'-Biphenyl]-3-methanamine
3-phenyl benzylamine3-phenyl-benzylamine3-phenylbenzyl aminebiphenyl-3-methanamine3-(phenyl)benzyl amine(biphenyl-3-y)methylamine1-Biphenyl-3-ylmethanamineC-Biphenyl-3-yl-methylamine

Database identifiers

CAS
177976-49-7
PubChem CID
2760368
DTXSID
DTXSID70375136
ChEMBL
CHEMBL4162063
EC Number
671-211-9
Nikkaji
J2.283.183F

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
14

Physicochemical properties

Melting point
28 °C · 28 °C
Boiling point
128 °C · 128 °C
Density
1.048 · 1.048±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka
9 · 9.00±0.10(Predicted)
form
solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (25%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (25%)

Safety data

wgk
WGK 3
hs_code
2921490090
risk_code
36/37/38-50-41-37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
T,Xi,N

Chemistry & industry

Applications · 1 item

Uses3-Phenylbenzylamine is used as a reagent for the preparation of N-bis[3-(2-arylethynyl)benzyl]-N''-isopropylureas. Based on biological studies, N-bis[3-(2-arylethynyl)benzyl]-N''-isopropylureas is considered a potent and selective microsomal prostaglandin E synthase (mPGES-1) inhibitors.

Upstream & downstream products

Suppliers46 total

上海康恩博医药科技有限公司17510465506 · [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]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Related reactions

44 records
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Linked notes

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