Basic information
- CAS
2185-97-9- Standard SMILES
[Cl-].[Cl-].[NH3+]C(Cc1ccc(C[NH+](CCCl)CCCl)cc1)C(=O)O- InChIKey
YJUGYTKTAOZZRD-UHFFFAOYSA-N- Molecular formula
- C14H22Cl4N2O2
- Average molar mass
- 392.1 g/mol
- Monoisotopic mass
- 390.043539
Names & identifiers
- Preferred name
- Alanine, 3-(p((bis(2-chloroethyl)amino)methyl)phenyl)-, dihydrochloride
- IUPAC
- [4-(2-azaniumyl-2-carboxyethyl)phenyl]methyl-bis(2-chloroethyl)azanium dichloride
Names & synonyms
p-Bis(2-chloroethyl)aminomethyl-phenylalanine dihydrochlorideALANINE, 3-(p((BIS(2-CHLOROETHYL)AMINO)METHYL)PHENYL)-, DIHYDROCHLORIDE2185-97-9RefChem:317963
Database identifiers
- CAS
2185-97-9- PubChem CID
- 16602
Properties
Computed structural properties
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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