Methyl 3-aminocrotonate

CAT: 0926-IM57964-01Size: 0.25 kgDry Ice: NoHazardous: No

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CAT#:0926-IM57964-01Size:0.25 kg

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CAS Number

14205-39-1

Synonyms

3-Amino-2-butenoic acid methyl ester;3-Aminocrotonic acid methyl ester; Methyl 3-amino-2-butenenoate

Smiles

C/C (=C/C (=O) OC) /N

Molecular Formula

C5H9NO2

Molecular Weight

115.13 g/mol

Controlled

Chemical Information

Methyl 3-aminocrotonate

CAS Number	14205-39-1
PubChem CID	643918
IUPAC Name	methyl (Z)-3-aminobut-2-enoate
Molecular Formula	C5H9NO2
Molecular Weight	115.13
XLogP	0.6
Topological Polar Surface Area	52.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	118

SMILES

C/C(=C/C(=O)OC)/N

InChI

InChI=1S/C5H9NO2/c1-4(6)3-5(7)8-2/h3H,6H2,1-2H3/b4-3-

InChIKey

XKORCTIIRYKLLG-ARJAWSKDSA-N

Chemical Structure

2D Structure

CAS: 14205-39-1

CID: 643918

Formula: C5H9NO2

MW: 115.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	115.13
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	115.063328530
Monoisotopic Mass	115.063328530
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	118
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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