| CAS Number | 98014-58-5 |
| Catalog Number | AG01A4AI(AGN-PC-0N4W3A) |
| Chemical Name | 3-(Benzylamino)butan-1-ol |
| IUPAC Name | 3-(benzylamino)butan-1-ol |
| InChI | InChI=1S/C11H17NO/c1-10(7-8-13)12-9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3 |
| InChI Key | DYGQWKBWKAFSBR-UHFFFAOYSA-N |
| MDL Number | MFCD20617488 |
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.2588 |
| SMILES | CC(NCC1=CC=CC=C1)CCO |
| Synonyms | 3-(benzylamino)butan-1-ol,
98014-58-5,
1-Butanol, 3-[(phenylmethyl)amino]-,
3-benzylamino-butan-1-ol,
3-(Benzylamino)-1-butanol,
SCHEMBL536907,
DYGQWKBWKAFSBR-UHFFFAOYSA-N,
AKOS017508047,
MCULE-2559647564,
NE28793,
FT-0747785,
Z1241678662,
CID10464904,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.263g/mol |
| Monoisotopic Mass | 179.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number