| CAS Number | 856988-73-3 |
| Catalog Number | AG00IDQX(AGN-PC-0WAIEX) |
| Chemical Name | 4-Bromo-N,N-diethyl-1-butanamine Hydrobromide |
| IUPAC Name | 4-bromo-N,N-diethylbutan-1-amine;hydrobromide |
| InChI | InChI=1S/C8H18BrN.BrH/c1-3-10(4-2)8-6-5-7-9;/h3-8H2,1-2H3;1H |
| InChI Key | NGJQLNOUGAUWCD-UHFFFAOYSA-N |
| MDL Number | MFCD21602539 |
| Molecular Formula | C8H19Br2N |
| Molecular Weight | 289.0512 |
| SMILES | Br.CCN(CCCCBr)CC |
| Synonyms | 4-Bromo-N,N-diethyl-1-butanamine Hydrobromide,
856988-73-3,
(4-bromobutyl)diethylamine hydrobromide,
C8H18BrN.HBr,
4761AJ,
AKOS026729021,
NE40771,
4-Bromo-N,N-diethyl-1-butanamine HBr,
SY027315,
MFCD21602539 (95%),
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| Complexity | 62.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.055g/mol |
| Monoisotopic Mass | 286.988g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number