| CAS Number | 883311-83-9 |
| Catalog Number | AG00H43B(AGN-PC-05BISL) |
| Chemical Name | 1-(Methoxymethyl)cyclopropanemethanamine |
| IUPAC Name | [1-(methoxymethyl)cyclopropyl]methanamine |
| InChI | InChI=1S/C6H13NO/c1-8-5-6(4-7)2-3-6/h2-5,7H2,1H3 |
| InChI Key | GLLBCNNWOPIIOD-UHFFFAOYSA-N |
| MDL Number | MFCD09971227 |
| Molecular Formula | C6H13NO |
| Molecular Weight | 115.1735 |
| SMILES | COCC1(CC1)CN |
| Synonyms | 883311-83-9,
(1-(Methoxymethyl)cyclopropyl)methanamine,
MFCD09971227,
[1-(methoxymethyl)cyclopropyl]methanamine,
1-[1-(methoxymethyl)cyclopropyl]methanamine,
([1-(Methoxymethyl)cyclopropyl]methyl)amine,
{[1-(Methoxymethyl)cyclopropyl]methyl}amine,
1-(methoxymethyl)Cyclopropanemethanamine,
SCHEMBL2206428,
GLLBCNNWOPIIOD-UHFFFAOYSA-N,
ALBB-027282,
ZINC19091823,
AKOS006282553,
AJ-71694,
FT-0736750,
Y-6133,
|
| Complexity | 78.6 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 115.176g/mol |
| Monoisotopic Mass | 115.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
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