Basic information
- CAS
92700-02-2- Standard SMILES
O=C(O)CCCCOc1ccc(N(CCCl)CCCl)cc1- InChIKey
BVLNFTAVPDUETK-UHFFFAOYSA-N- Molecular formula
- C15H21Cl2NO3
- Average molar mass
- 334.2 g/mol
- Monoisotopic mass
- 333.0898489
Names & identifiers
- Preferred name
- Valeric acid, 5-(p-(bis(2-chloroethyl)amino)phenoxy)-
- IUPAC
- 5-[4-[bis(2-chloroethyl)amino]phenoxy]pentanoic acid
Names & synonyms
92700-02-2Valeric acid, 5-(p-(bis(2-chloroethyl)amino)phenoxy)-NSC-2604582JH9AL6FB2Pentanoic acid, 5-(4-(bis(2-chloroethyl)amino)phenoxy)-DTXSID002391165-[4-[bis(2-chloroethyl)amino]phenoxy]pentanoic acidPentanoic acid, 5-[4-[bis(2-chloroethyl)amino]phenoxy]-5-(4-(Bis(2-chloroethyl)amino)phenoxy)pentanoic acid5-{4-[Bis(2-chloroethyl)amino]phenoxy}pentanoic acidValeric acid, 5-[p-[bis(2-chloroethyl)amino]phenoxy]-RefChem:1100915
Show more names
DTXCID201616075-(p-(Bis(2-chloroethyl)amino)phenoxy)valeric acidCB 1378NSC 260458BRN 3403648NSC260458DS-008852
Database identifiers
- CAS
92700-02-2- PubChem CID
- 99656
- DTXSID
DTXSID00239116- UNII
- 2JH9AL6FB2
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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