| CAS Number | 60365-88-0 |
| Catalog Number | AG00F46K(AGN-PC-0OD3AY) |
| Chemical Name | (S)-2-(Bromomethyl)-1-methylpyrrolidine |
| IUPAC Name | (2S)-2-(bromomethyl)-1-methylpyrrolidine |
| InChI | InChI=1S/C6H12BrN/c1-8-4-2-3-6(8)5-7/h6H,2-5H2,1H3/t6-/m0/s1 |
| InChI Key | RALAMZZQDJIIJX-LURJTMIESA-N |
| MDL Number | MFCD21097910 |
| Molecular Formula | C6H12BrN |
| Molecular Weight | 178.0702 |
| SMILES | CN1[C@H](CBr)CCC1 |
| Synonyms | (S)-2-(Bromomethyl)-1-methylpyrrolidine,
60365-88-0,
(S)-2-Bromomethyl-1-methyl-pyrrolidine,
AK159349,
(2S)-2-(bromomethyl)-1-methyl-Pyrrolidine,
SCHEMBL7717003,
MFCD21097910,
ZINC66323477,
AKOS024463590,
(S)-2-Bromomethyl-1-methylpyrrolidine,
DS-9657,
FCH4009688,
(S)-(2-Bromomethyl)-1-methylpyrrolidine,
AM101006,
BBV-77665620,
AJ-115977,
AX8292687,
ST24035897,
(S)-2-Bromomethyl-1-methyl-pyrrolid,
ACN-054555,
INE,
|
| Complexity | 74.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.073g/mol |
| Monoisotopic Mass | 177.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number