N-Methyl-phenethylamine

CAT: 0024-sc-250472ASize: 5 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-250472ASize:5 mL

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CAS Number

589-08-2

Chemical Information

N-Methylbenzeneethanamine

N-methylphenethylamine has been reported in Senegalia berlandieri, Senegalia roemeriana, and other organisms with data available.

CAS Number	589-08-2
PubChem CID	11503
IUPAC Name	N-methyl-2-phenylethanamine
Molecular Formula	C9H13N
Molecular Weight	135.21
XLogP	1.9
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	10
Formal Charge	0
Complexity	74

SMILES

CNCCC1=CC=CC=C1

InChI

InChI=1S/C9H13N/c1-10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3

InChIKey

SASNBVQSOZSTPD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 589-08-2

CID: 11503

Formula: C9H13N

MW: 135.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	135.21
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	135.104799419
Monoisotopic Mass	135.104799419
Topological Polar Surface Area	12 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	74.8
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
sc-474145	N, N, β-Trimethyl-phenethylamine hydrochloride
sc-331335	N-Isopropyl-N-phenethylamine hydrochloride
sc-473848	N, N, β-Trimethyl-phenethylamine Hydrochloride-d6
sc-238192	2-Phenethylamine
sc-478336	Phenethylamine-d4
sc-267259	4-Benzyloxy-Phenethylamine HCl
sc-301708	RuPhos palladium (II) phenethylamine chloride
sc-301983	(XPhos) palladium (II) phenethylamine chloride
sc-272319	(S) - (-) -N-Methoxymethyl-N- (trimethylsilyl) methyl-1-phenylethylamine
sc-486277	(R) - (+) -N-Methyl-1-phenylethylamine-d13

Catalog	Name
AR-P29738-01	N-Nitroso N-Methyl-Phenethylamine
459020-01	N-Ethyl-β-methyl-phenethylamine Hydrochloride
464420-01	Rac-N- (o-Chlorobenzylidene) -α-methyl-phenethylamine
458998	N-Ethyl-d5-β-methyl-phenethylamine Hydrochloride
TRC-E925265-2.5G	N-Ethyl-beta-methyl-phenethylamine Hydrochloride
TRC-E925267-25MG	N-Ethyl-d5-beta-methyl-phenethylamine Hydrochloride
TRC-C428990-100MG	rac-N-(o-Chlorobenzylidene)-alpha-methyl-phenethylamine
OR22897	N, N-dimethyl-N-phenethylamine
TRC-M338335-500MG	L-a-Methyl-phenethylamine D-Tartrate
460018	N, N, β-Trimethyl-phenethylamine Hydrochloride