(1S) -1-mesitylethanamine

CAT: 0024-sc-334497Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-334497Size:1 g

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CAS Number

20050-17-3

Chemical Information

(S)-1-Mesitylethanamine

CAS Number	20050-17-3
PubChem CID	13230650
IUPAC Name	(1S)-1-(2,4,6-trimethylphenyl)ethanamine
Molecular Formula	C11H17N
Molecular Weight	163.26
XLogP	2.3
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	132

SMILES

CC1=CC(=C(C(=C1)C)[C@H](C)N)C

InChI

InChI=1S/C11H17N/c1-7-5-8(2)11(10(4)12)9(3)6-7/h5-6,10H,12H2,1-4H3/t10-/m0/s1

InChIKey

LVIICDKJNNIEQG-JTQLQIEISA-N

Chemical Structure

2D Structure

CAS: 20050-17-3

CID: 13230650

Formula: C11H17N

MW: 163.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	163.26
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	163.136099547
Monoisotopic Mass	163.136099547
Topological Polar Surface Area	26 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	132
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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