1-Methyl-3-phenylpropylamine

CAT: 0926-FM157635-01Size: 0.1 KgDry Ice: NoHazardous: No

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CAT#:0926-FM157635-01Size:0.1 Kg

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CAS Number

22374-89-6

MDL Number

MFCD00008090

Smiles

CC (CCC1=CC=CC=C1) N

Molecular Formula

C10H15N

Molecular Weight

149.23 g/mol

Controlled

Yes

Chemical Information

1-Methyl-3-phenylpropylamine

urinary metabolite of labetalol; structure given in first source

CAS Number	22374-89-6
PubChem CID	31160
IUPAC Name	4-phenylbutan-2-amine
Molecular Formula	C10H15N
Molecular Weight	149.23
XLogP	2
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	95

SMILES

CC(CCC1=CC=CC=C1)N

InChI

InChI=1S/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3

InChIKey

WECUIGDEWBNQJJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22374-89-6

CID: 31160

Formula: C10H15N

MW: 149.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	149.23
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	149.120449483
Monoisotopic Mass	149.120449483
Topological Polar Surface Area	26 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	95
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
IM58071-01	N-Methyl-3-phenylpropylamine hydrochloride
DAA78959-01	(S) - (-) -1-Phenylpropylamine
HXC93906-01	Methyl -3-[ (chlorosulfonyl) methyl]-3-fluorocyclobutane-1-carboxylate
BPC04572-01	3-Methyl-1-[ (1,3-thiazol-2-yl) methyl]urea
SHA43318-01	1-Methyl-3-oxocyclopentanecarbonitrile
FM55293-01	3-Methyl-1-cyclopentadecanone
FM45118-01	3-Methyl-1-butanol
FM157458	1-Methyl-3-Propylbenzene
FM11436-01	1-Methyl-3-pyrrolidinol
DXB89945-01	1-Methyl-3-trifluoromethanesulfinylbenzene

Catalog	Name
TRC-M325470-25G	1-Methyl-3-phenylpropylamine
TRC-M325690-100MG	N-Methyl-3-phenylpropylamine
sc-486184	N-Methyl-1-phenylpropylamine
sc-212016	N- (Methyl-d3) -3-phenylpropylamine
TRC-M223773-5MG	N-Methyl-3-phenylpropylamine Hydrochloride
TRC-P336055-50G	3-Phenylpropylamine
sc-306064	2-[2- (1-Methyl-2-piperidinyl) ethoxy]-3-phenylpropylamine
OR912344-01	(R) - (+) -1-Phenylpropylamine
TRC-P336220-100G	(S)-(-)-1-Phenylpropylamine
166366	S- (-) -1-Phenylpropylamine