Basic information
- CAS
153-88-8- Standard SMILES
NC(Cc1c[nH]c2ccc(N(CCCl)CCCl)cc12)C(=O)O- InChIKey
DGRNTPAKIUYGJI-ZDUSSCGKSA-N- Molecular formula
- C15H19Cl2N3O2
- Average molar mass
- 344.2 g/mol
Names & identifiers
- Preferred name
- Tryptophan mustard, DL-
- IUPAC
- 2-amino-3-[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]propanoic acid
- English name
- DL-Tryptophan mustard
- Molecular formula
- C15H19Cl2N3O2
- Molecular weight
- 344.24
Names & synonyms
TRYPTOPHAN MUSTARDMP 955Tryptophan mustard, DL-5-(Bis(2-chloroethyl)amino)-DL-tryptophanUNII-IV1K341O5ZNSC 62403BRN 3997356IV1K341O5ZNSC-62403Tryptophan, 5-(bis(2-chloroethyl)amino)-, DL-TRYPTOPHAN, 5-(BIS(2-CHLOROETHYL)AMINO)-5-[Bis(2-chloroethyl)amino]-DL-tryptophan
Show more names
Tryptophan, 5-[bis(2-chloroethyl)amino]-
RefChem:203397DL-Tryptophan mustard153-88-85-Bis(2-chloroethyl)amino-DL-tryptophan2-amino-3-[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]propanoic acidTRYPTOPHANE MUSTARDNCIOpen2_008286NSC62403
Database identifiers
- CAS
153-88-8- PubChem CID
- 9059
- UNII
- IV1K341O5Z
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Boiling point
- 573 · 573.0±50.0 °C(Predicted)
- Density
- 1.412 · 1.412±0.06 g/cm3(Predicted)
- pka
- 2.19 · 2.19±0.10(Predicted)
- FDA UNII
- 1 K341O5Z · IV1K341O5Z
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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