2- (2-Cyano-ethylamino) -propionic acid

CAT: 0926-NCA90532-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-NCA90532-01Size:1 g

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CAS Number

63905-32-8

MDL Number

MFCD00195562

Smiles

CC (C (=O) O) NCCC#N

Molecular Formula

C6H10N2O2

Molecular Weight

142.16 g/mol

Controlled

Chemical Information

2-(2-cyanoethylamino)propanoic Acid

CAS Number	63905-32-8
PubChem CID	4535195
IUPAC Name	2-(2-cyanoethylamino)propanoic acid
Molecular Formula	C6H10N2O2
Molecular Weight	142.16
XLogP	-2.8
Topological Polar Surface Area	73.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	158

SMILES

CC(C(=O)O)NCCC#N

InChI

InChI=1S/C6H10N2O2/c1-5(6(9)10)8-4-2-3-7/h5,8H,2,4H2,1H3,(H,9,10)

InChIKey

NGTORYSYDRDVFM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 63905-32-8

CID: 4535195

Formula: C6H10N2O2

MW: 142.16

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	142.16
XLogP3	-2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	142.074227566
Monoisotopic Mass	142.074227566
Topological Polar Surface Area	73.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	158
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
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