Basic information
- CAS
18071-61-9- Standard SMILES
Cl.Cl.Nc1cc(C(N)CC(=O)O)c(I)cc1I- InChIKey
GTVCJJADPZZNBI-UHFFFAOYSA-N- Molecular formula
- C9H12Cl2I2N2O2
- Average molar mass
- 504.92 g/mol
- Monoisotopic mass
- 503.83653
Names & identifiers
- Preferred name
- Betamin
- IUPAC
- 3-amino-3-(5-amino-2,4-diiodophenyl)propanoic acid;dihydrochloride
Names & synonyms
BetaminRefChem:1079729(+/-)-BetaminUNII-Z977GNV2OAZ977GNV2OA18071-61-9beta-(5-Amino-2,4-diiodophenyl)-beta-alanine dihydrochlorideHydrocinnamic acid, beta,5-diamino-2,4-diiodo-, dihydrochlorideBenzenepropanoic acid, beta,5-diamino-2,4-diiodo-, dihydrochlorideBenzenepropanoic acid, beta,5-diamino-2,4-diiodo-, hydrochloride (1:2)3-amino-3-(5-amino-2,4-diiodophenyl)propanoic acid dihydrochlorideQ27295174
Show more names
.BETA.-(5-AMINO-2,4-DIIODOPHENYL)-.BETA.-ALANINE DIHYDROCHLORIDEHYDROCINNAMIC ACID, .BETA.,5-DIAMINO-2,4-DIIODO-, DIHYDROCHLORIDEBENZENEPROPANOIC ACID, .BETA.,5-DIAMINO-2,4-DIIODO-, DIHYDROCHLORIDEBENZENEPROPANOIC ACID, .BETA.,5-DIAMINO-2,4-DIIODO-, HYDROCHLORIDE (1:2)
Database identifiers
- CAS
18071-61-9- PubChem CID
- 9914101
- UNII
- Z977GNV2OA
Properties
Computed structural properties
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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