Methyl 3-amino-3-phenylprop-2-enoate

HCID 66920106
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Basic information

CAS
70272-01-4
Standard SMILES
COC(=O)C=C(N)c1ccccc1
InChIKey
KMNFUCPXSBCOOU-UHFFFAOYSA-N
Molecular formula
C10H11NO2
Average molar mass
177.2 g/mol
Monoisotopic mass
177.07897859

Names & identifiers

Preferred name
Methyl 3-amino-3-phenylprop-2-enoate
IUPAC
methyl 3-amino-3-phenylprop-2-enoate
English name
2-Propenoic acid, 3-aMino-3-phenyl-, Methyl ester
Molecular formula
C10H11NO2
Molecular weight
177.2

Names & synonyms

MFCD22381985METHYL 3-AMINO-3-PHENYLPROP-2-ENOATE2-Propenoic acid, 3-amino-3-phenyl-, methyl estermethyl beta-aminocinnamatemethyl beta-amino-cinnamateSCHEMBL1143781DTXSID30736042KMNFUCPXSBCOOU-UHFFFAOYSA-Nmethyl 3-amino-3-phenyl-prop-2-enoateDB-230734H82131Methyl 3-amino-3-phenylacrylate

Database identifiers

CAS
70272-01-4
PubChem CID
66920106
DTXSID
DTXSID30736042

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
52.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
13

Physicochemical properties

Boiling point
98 · 98-102.5 °C(Press: 0.15 Torr)
Density
1.125 · 1.125±0.06 g/cm3(Predicted)
pka
3.89 · 3.89±0.70(Predicted)
HS Code
2922498590 · 2922498590

Safety & regulation

Safety data

hs_code
2922498590

Chemistry & industry

Suppliers3 total

江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
南京诺希生物科技有限公司025-85767923 18512596075
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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