Basic information
- CAS
106094-83-1- Standard SMILES
NC1(C(=O)O)CCc2ccc(N(CCCl)CCCl)cc2C1- InChIKey
YHWFDBWKAOPRRT-UHFFFAOYSA-N- Molecular formula
- C15H20Cl2N2O2
- Average molar mass
- 331.2 g/mol
- Monoisotopic mass
- 330.0901833
Names & identifiers
- Preferred name
- 2-Amino-7-[bis(2-chloroethyl)amino]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
- IUPAC
- 2-amino-7-[bis(2-chloroethyl)amino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
Names & synonyms
CHEMBL153149NSC6930192-amino-7-[bis(2-chloroethyl)amino]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acidSCHEMBL9397128DTXSID90909917BDBM50025839NSC-693019NCI60_0091062-Amino-7-[bis-(2-chloro-ethyl)-amino]-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acidDL-2-amino-7-(bis(2-chloroethyl)amino)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
Database identifiers
- CAS
106094-83-1- PubChem CID
- 363389
- DTXSID
DTXSID90909917- ChEMBL
CHEMBL153149
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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