4-Bromobenzylamine

CAT: 0926-FB03579-01Size: 0.025 kgDry Ice: NoHazardous: No

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CAT#:0926-FB03579-01Size:0.025 kg

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CAS Number

3959-07-7

MDL Number

MFCD00047931

Smiles

NCc1ccc (Br) cc1

Molecular Formula

C7H8BrN

Molecular Weight

186.05 g/mol

Controlled

Chemical Information

4-Bromobenzylamine

CAS Number	3959-07-7
PubChem CID	77571
IUPAC Name	(4-bromophenyl)methanamine
Molecular Formula	C7H8BrN
Molecular Weight	186.05
XLogP	1.9
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	77

SMILES

C1=CC(=CC=C1CN)Br

InChI

InChI=1S/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2

InChIKey

XRNVSPDQTPVECU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3959-07-7

CID: 77571

Formula: C7H8BrN

MW: 186.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.05
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	184.98401
Monoisotopic Mass	184.98401
Topological Polar Surface Area	26 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	77
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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JXB85075-01	4,4,4-Trifluorobutanethioamide
FT77427	4,4,4-Trifluorovaline
AAA46134	4,4,4-Trifluorobutanamide
AAA40687	4,4,4-Trifluorobutanal
IC20325-01	4- (4-Chlorophenyl) -4-hydroxypiperidine

Catalog	Name
sc-232504	4-Bromobenzylamine
OR8654-01	4-Bromobenzylamine hydrochloride
OR1068818-01	N-Ethyl-4-bromobenzylamine
B19030-01	O-Bromobenzylamine
261837-01	3-Bromobenzylamine
OR89707-01	N-Methyl-4-bromobenzylamine Hydrochloride
OR6194	2-Bromobenzylamine
sc-230069	2-Bromobenzylamine hydrochloride
B19050-01	P-Bromobenzylamine 98%
PC50332-01	N- (2,2,2-Trifluoroethyl) -4-bromobenzylamine