N'-(2-Chloroethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamimidic acid
Basic information
- CAS
102433-66-9- Standard SMILES
O=C(NCCCl)NC1CCc2ccccc2C1- InChIKey
AATZWARJFHAMMS-UHFFFAOYSA-N- Molecular formula
- C13H17ClN2O
- Average molar mass
- 252.74 g/mol
- Monoisotopic mass
- 252.1029409
Names & identifiers
- Preferred name
- N'-(2-Chloroethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamimidic acid
- IUPAC
- 1-(2-chloroethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
Names & synonyms
102433-66-9DTXSID10907556N'-(2-Chloroethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamimidic acidRefChem:1090128DTXCID6013366461-(2-Chloroethyl)-3-(1,2,3,4-tetrahydro-2-naphthyl)ureaUrea, 1-(2-chloroethyl)-3-(1,2,3,4-tetrahydro-2-naphthyl)-NSC160192NSC-160192
Database identifiers
- CAS
102433-66-9- PubChem CID
- 293544
- DTXSID
DTXSID10907556- Nikkaji
- J83.917E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 260
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Compound notes
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