N-Acetyl-4-(bis(2-chloroethyl)amino)phenylalanine
Completing data — refresh the page later to see the latest
Basic information
- CAS
1160-90-3- Standard SMILES
CC(=O)NC(Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O- InChIKey
NZEYWBNQKCRBFO-AWEZNQCLSA-N- Molecular formula
- C15H20Cl2N2O3
- Average molar mass
- 347.2 g/mol
- Monoisotopic mass
- 346.0850979
Overview
RN given refers to (DL)-isomer
Names & identifiers
- Preferred name
- N-Acetyl-4-(bis(2-chloroethyl)amino)phenylalanine
- IUPAC
- 2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
- English name
- N-acetylmelphalan
- Molecular formula
- C15H20Cl2N2O3
- Molecular weight
- 347.24
Names & synonyms
N-AcetylmelphalanN-Acmel1160-90-35786-56-1RefChem:927000N-Acetyl-4-(bis(2-chloroethyl)amino)phenylalanineN-AcetylsarcolysineAcetylsarcolysine2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acidDL-Phenylalanine, N-acetyl-4-[bis(2-chloroethyl)amino]-DL-Phenylalanine, N-acetyl-4-(bis(2-chloroethyl)amino)-Phenylalanine, N-acetyl-4-(bis(2-chloroethyl)amino)-
Show more names
Phenylalanine, N-acetyl-4-[bis(2-chloroethyl)amino]-
NSC 212512ALANINE, N-ACETYL-3-(p-(BIS(2-CHLOROETHYL)AMINO)PHENYL)-MLS000123340SCHEMBL6661149CHEMBL1406831L-Phenylalanine, N-acetyl-4-[bis(2-chloroethyl)amino]-DTXSID90921896NZEYWBNQKCRBFO-UHFFFAOYSA-N
Database identifiers
- CAS
1160-90-3、5786-56-1- PubChem CID
- 14399
- DTXSID
DTXSID90921896- ChEMBL
CHEMBL1406831
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Boiling point
- 586.2 · 586.2±50.0 °C(Predicted)
- Density
- 1.303 · 1.303±0.06 g/cm3(Predicted)
- pka
- 3.38 · 3.38±0.10(Predicted)
Related reactions
2 records
Compound notes
Loading…