(4-Methoxy-3-methylphenyl) methanamine

CAT: 0926-IEA12507-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-IEA12507-01Size:0.5 g

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CAS Number

108125-07-1

MDL Number

MFCD07786727

Smiles

CC1=C (C=CC (=C1) CN) OC

Molecular Formula

C9H13NO

Molecular Weight

151.21 g/mol

Controlled

Chemical Information

(4-Methoxy-3-methylphenyl)methanamine

CAS Number	108125-07-1
PubChem CID	23087612
IUPAC Name	(4-methoxy-3-methylphenyl)methanamine
Molecular Formula	C9H13NO
Molecular Weight	151.21
XLogP	1.1
Topological Polar Surface Area	35.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	116

SMILES

CC1=C(C=CC(=C1)CN)OC

InChI

InChI=1S/C9H13NO/c1-7-5-8(6-10)3-4-9(7)11-2/h3-5H,6,10H2,1-2H3

InChIKey

XDGSESTXOSTZCM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 108125-07-1

CID: 23087612

Formula: C9H13NO

MW: 151.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	151.21
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	151.099714038
Monoisotopic Mass	151.099714038
Topological Polar Surface Area	35.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	116
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
XJA57028-01	(3-Methoxy-4-methylphenyl) methanamine
QXB00043-01	(3-Methoxy-4-methylphenyl) methanamine hydrochloride
BJB67022-01	(2-Methoxy-4-methylphenyl) methanamine
LAC68127-01	(3-Methoxy-5-methylphenyl) methanamine
DXC60623-01	{4-[ (3-Methylphenyl) methoxy]phenyl}methanamine hydrochloride
WQB01756-01	(2-Chlorophenyl) (4-methoxy-2-methylphenyl) methanamine
TKB64903-01	[4- (3-Methylphenyl) phenyl]methanamine
BDB21245-01	(3-Chlorophenyl) (4-methylphenyl) methanamine
UCB48122-01	(4-Methanesulfonyl-3-methylphenyl) methanamine
UQB39584-01	(4-Chlorophenyl) (3-methylphenyl) methanamine

Catalog	Name
OR1066299	(4-Methoxy-3-methylphenyl) methanamine
OR1051054-01	(4-Methoxy-2-methylphenyl) methanamine
OR1046631-01	(3-Methoxy-5-methylphenyl) methanamine
OR1035919-01	(4-Methoxy-2-methylphenyl) methanamine hydrochloride
OR76801-01	(5-Methoxy-2-methylphenyl) methanamine
AL BW 1381-01	(4-bromo-3-methylphenyl) methanamine
OR85335-01	(5-Methoxy-2-methylphenyl) methanamine hydrochloride
sc-272936	1- (3-Chloro-4-methylphenyl) methanamine
OR77203-01	(3-Bromo-4-methylphenyl) methanamine hydrochloride
sc-332275A	1- (2-methoxy-5-methylphenyl) methanamine hydrochloride