Basic information
- CAS
106114-32-3- Standard SMILES
NOC(=O)C1CCc2c(cccc2N(CCCl)CCCl)C1- InChIKey
ATLANXOAODGUFS-UHFFFAOYSA-N- Molecular formula
- C15H20Cl2N2O2
- Average molar mass
- 331.2 g/mol
- Monoisotopic mass
- 330.0901833
Overview
RN given refers to parent cpd; RN given in first source
Names & identifiers
- Preferred name
- 2-Amino-5-(bis(2-chloroethyl)amino)-1,2,3,4-tetrahydro-2-naphthoic acid
- IUPAC
- amino 5-[bis(2-chloroethyl)amino]-1,2,3,4-tetrahydronaphthalene-2-carboxylate
- English name
- 2-Naphthalenecarboxylic acid, 2-amino-5-(bis(2-chloroethyl)amino)-1,2, 3,4-tetrahydro-, (+-)-
- Molecular formula
- C15H20Cl2N2O2
- Molecular weight
- 331.24
Names & synonyms
2-A-5-Bcan106114-32-32-Amino-5-(bis(2-chloroethyl)amino)-1,2,3,4-tetrahydro-2-naphthoic acidRefChem:85239amino 5-[bis(2-chloroethyl)amino]-1,2,3,4-tetrahydronaphthalene-2-carboxylateDTXSID609099242-Naphthalenecarboxylic acid, 2-amino-5-(bis(2-chloroethyl)amino)-1,2, 3,4-tetrahydro-, (+-)-(Aminooxy){5-[bis(2-chloroethyl)amino]-1,2,3,4-tetrahydronaphthalen-2-yl}methanone2-Naphthalenecarboxylic acid, 2-amino-5-(bis(2-chloroethyl)amino)-1,2,3,4-tetrahydro-, (+-)-
Database identifiers
- CAS
106114-32-3- PubChem CID
- 129196
- DTXSID
DTXSID60909924
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Boiling point
- 526.165 · 526.165±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.334 · 1.334±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.014 · 2.014±0.20(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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