L-Glutamine, N-[4-[bis(2-chloroethyl)amino]phenyl]-
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Basic information
- CAS
3069-94-1- Standard SMILES
NC(CCC(=O)Nc1ccc(N(CCCl)CCCl)cc1)C(=O)O- InChIKey
DQWJBOSCWQUFRX-UHFFFAOYSA-N- Molecular formula
- C15H21Cl2N3O3
- Average molar mass
- 362.2 g/mol
- Monoisotopic mass
- 361.0959969
Names & identifiers
- Preferred name
- L-Glutamine, N-[4-[bis(2-chloroethyl)amino]phenyl]-
- IUPAC
- 2-amino-5-[4-[bis(2-chloroethyl)amino]anilino]-5-oxopentanoic acid
- English name
- 2-amino-4-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoyl]butanoic acid
- Molecular formula
- C15H21Cl2N3O3
- Molecular weight
- 362.25
Names & synonyms
3331-00-8NSC240751L-Glutamine, N-[4-[bis(2-chloroethyl)amino]phenyl]-Glutaranilic acid, D-Glutaranilic acid, L-2-amino-4-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoyl]butanoic acidNSC240750NSC-240750NSC-2407513069-94-1Glutaranilic acid, 2-amino-4'-[bis(2-chloroethyl)amino]-, D-Glutaranilic acid, 2-amino-4'-[bis(2-chloroethyl)amino]-, D- (8CI)
Database identifiers
- CAS
3069-94-1、3331-00-8- PubChem CID
- 428612
Properties
Computed structural propertiesFilling in
- XLogP
- -0.9
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
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Compound notes
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