| CAS Number | 1419075-98-1 |
| Catalog Number | AG001HBX(AGN-PC-0WCL3F) |
| Chemical Name | 3-Pyrrolidinemethanamine, 1-methyl-, (3S)- |
| IUPAC Name | [(3S)-1-methylpyrrolidin-3-yl]methanamine |
| InChI | InChI=1S/C6H14N2/c1-8-3-2-6(4-7)5-8/h6H,2-5,7H2,1H3/t6-/m0/s1 |
| InChI Key | BAOBZCAXECCBQL-LURJTMIESA-N |
| MDL Number | MFCD23106376 |
| Molecular Formula | C6H14N2 |
| Molecular Weight | 114.1888 |
| SMILES | CN1C[C@@H](CC1)CN |
| Synonyms | 1419075-98-1,
(S)-(1-Methylpyrrolidin-3-yl)methanamine,
[(3S)-1-methylpyrrolidin-3-yl]methanamine,
(S)-1-Methyl-3-(aminomethyl)pyrrolidine,
SCHEMBL12233410,
MFCD23106376,
ZINC12404775,
FCH2296260,
PB36038,
SB10738,
KS-0000041T,
AJ-62154,
AK170789,
AS-51876,
CS-0053043,
3-Pyrrolidinemethanamine, 1-methyl-, (3S)-,
1860033-51-7,
|
| Complexity | 72.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 114.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 114.192g/mol |
| Monoisotopic Mass | 114.116g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
8
|
|
Hazard statements
|
H314-H318
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P280-P305+P351+P338-P310
|
|
UN Code
|
UN 3265
|
Certificate of Analysis
Lot Number