cis-beta-Carboxyacrylamidine
Basic information
- CAS
10567-30-3- Standard SMILES
N=C(N)/C=C\C(=O)O- InChIKey
PUYYOFIOXZDTMK-UPHRSURJSA-N- Molecular formula
- C4H6N2O2
- Average molar mass
- 114.1 g/mol
- Monoisotopic mass
- 114.04292744
Overview
isolated from fermentation broth of actinomycete Streptomyces furlongus var. furlongus nov. sp; stimulates lipolysis
Names & identifiers
- Preferred name
- cis-beta-Carboxyacrylamidine
- IUPAC
- (Z)-4-amino-4-iminobut-2-enoic acid
- English name
- (3Z)-3-Amidinoacrylic acid
- Molecular formula
- C4H6N2O2
- Molecular weight
- 114.1
Names & synonyms
cis-beta-Carboxyacrylamidine10567-30-3RefChem:1264292-Propenoic acid, 3-(aminoiminomethyl)-, (Z)Antibiotic 220t2NSC93048Antibiotic U-20,904ACRYLIC ACID, 3-AMIDINO-, (Z)-cis-3-Amidinoacrylic acidNSC 93048NSC86002(?,Z)-3-(Aminoiminomethyl)-2-propenoic acid
Show more names
Antibiotic U-20904(3Z)-3-Amidinoacrylic acid2-Propenoic acid, 3-(aminoiminomethyl)-, (Z)- (9CI)
2-Propenoic acid, 3-(aminoiminomethyl)-, (?,Z)-Acrylic acid, cis-3-amidino-SCHEMBL27873511NSC-86002NSC-93048ACRYLIC ACID DERIV ANTIBIOTIC 220T2U 18202ACRYLAMIDINE, TRANS B-CARBOXY ANTIBIOTIC 220T1 U-18202
Database identifiers
- CAS
10567-30-3- PubChem CID
- 5380372
- Nikkaji
- J55.125B
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 87.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Boiling point
- 262.5 · 262.5±42.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 1.36 · 1.36±0.28(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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