N-Butyl-N-chloro-1-butanamine
Basic information
- CAS
999-33-7- Standard SMILES
CCCCN(Cl)CCCC- InChIKey
QZYWEVKTBJKUPB-UHFFFAOYSA-N- Molecular formula
- C8H18ClN
- Average molar mass
- 163.69 g/mol
- Monoisotopic mass
- 163.1127773
Names & identifiers
- Preferred name
- N-Butyl-N-chloro-1-butanamine
- IUPAC
- N-butyl-N-chlorobutan-1-amine
- English name
- N-butyl-N-chloro-1-butanamine
- Molecular formula
- C8H18ClN
- Molecular weight
- 163.69
Names & synonyms
N-BUTYL-N-CHLORO-1-BUTANAMINE999-33-7N-butyl-N-chlorobutan-1-amineDibutylchloramineN-Chlor-dibutylaminNSC223056N,N-Dibutylhypochlorous amideSCHEMBL1785109DTXSID20244287NSC 223056NSC-223056N-BUTYL-N-CHLORO-1-BUTANAMINE, N-butyl-N-chlorobutan-1-amine, 999-33-7, NSC223056, AC1L22KW, N-butyl-N-chloro-butan-1-amine, N-butyl-N-chloranyl-butan-1-amine, ZINC01756716, NSC-223056, FT-0653300, ST51056573, A846105, S14-0914
Show more names
ChlorodibutylamineN-ChlorodibutylamineN-Chloro-N,N-dibutylamine1-Butanamine, N-butyl-N-chloro-
Database identifiers
- CAS
999-33-7- PubChem CID
- 13834
- DTXSID
DTXSID20244287- Nikkaji
- J1.551.627E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 58.3
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 191 ℃ · 191℃
- Density
- 0.913 · 0.913
- Flash point
- 69 ℃ · 69℃
- pka
- -0.98 · -0.98±0.70(Predicted)
Chemistry & industry
Upstream & downstream products
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Related reactions
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Compound notes
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