| CAS Number | 557769-86-5 |
| Catalog Number | AG00K9LJ(AGN-PC-01U88R) |
| Chemical Name | 2-[(Cyclopropylmethyl)amino]ethan-1-ol |
| IUPAC Name | 2-(cyclopropylmethylamino)ethanol |
| InChI | InChI=1S/C6H13NO/c8-4-3-7-5-6-1-2-6/h6-8H,1-5H2 |
| InChI Key | HJIGAAUGGJHBMI-UHFFFAOYSA-N |
| MDL Number | MFCD11150511 |
| Molecular Formula | C6H13NO |
| Molecular Weight | 115.1735 |
| SMILES | OCCNCC1CC1 |
| Synonyms | 2-[(cyclopropylmethyl)amino]ethan-1-ol,
557769-86-5,
2-((cyclopropylmethyl)amino)ethanol,
N-(2-Hydroxyethyl)(cyclopropylmethyl)amine,
AC1Q7D6E,
SCHEMBL3429214,
CTK8A5363,
HJIGAAUGGJHBMI-UHFFFAOYSA-N,
MFCD11150511,
ZINC20037674,
AKOS000251679,
MCULE-8212551918,
NE49686,
BS-12801,
N-cyclopropylmethyl-N-(2-hydroxyethyl)amine,
EN300-55180,
F2158-1963,
|
| Complexity | 61.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 115.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 115.176g/mol |
| Monoisotopic Mass | 115.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number