N,N-Bis(2-bromoethyl)benzenamine
Basic information
- CAS
2045-19-4- Standard SMILES
BrCCN(CCBr)c1ccccc1- InChIKey
LTZFEVFXIMXNRW-UHFFFAOYSA-N- Molecular formula
- C10H13Br2N
- Average molar mass
- 307.02 g/mol
- Monoisotopic mass
- 304.94147
Names & identifiers
- Preferred name
- N,N-Bis(2-bromoethyl)benzenamine
- IUPAC
- N,N-bis(2-bromoethyl)aniline
- English name
- N,N-Bis[2-bromo-ethyl]aniline
- Molecular formula
- C10H13Br2N
- Molecular weight
- 307.02
Names & synonyms
N,N-Bis(2-bromoethyl)anilineBenzenamine, N,N-bis(2-bromoethyl)-2045-19-4ANILINE, N,N-BIS(2-BROMOETHYL)-VPA4GEU4QGNSC-260404DTXSID50174402N,N-Bis(2-bromoethyl)benzenamineRefChem:1090373DTXCID6096893NSC 260404BRN 0779106
Show more names
N,N-Bis[2-bromo-ethyl]anilineN,N-bis(2-bromoethyl)phenylamine
NSC260404WLN: E2NR&2ECHEMBL19482Aniline,N-bis(2-bromoethyl)-SCHEMBL11056830n,n-bis[2-bromo-ethyl] anilineLTZFEVFXIMXNRW-UHFFFAOYSA-NBenzenamine,N-bis(2-bromoethyl)-
Database identifiers
- CAS
2045-19-4- PubChem CID
- 16284
- DTXSID
DTXSID50174402- ChEMBL
CHEMBL19482- UNII
- VPA4GEU4QG
- Nikkaji
- J55.201A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Melting point
- 52 · 52-53 °C(Solv: methanol (67-56-1))
- Boiling point
- 187 · 187-189 °C(Press: 20 Torr)
- Density
- 1.6367 · 1.6367 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- pka
- 4.35 · 4.35±0.50(Predicted)
- FDA UNII
- 4 GEU4QG · VPA4GEU4QG
- Toxicity
- 50 ipr-rat: · LD50 ipr-rat: 12 mg/kg JMCMAR 8,167,1965
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 ipr-rat: 12 mg/kg JMCMAR 8,167,1965
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Compound notes
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