| CAS Number | 1147109-42-9 |
| Catalog Number | AG01BA9I |
| Chemical Name | tert-butyl N-{[1-(aminomethyl)cyclopropyl]methyl}carbamate |
| IUPAC Name | tert-butyl N-[[1-(aminomethyl)cyclopropyl]methyl]carbamate |
| InChI | InChI=1S/C10H20N2O2/c1-9(2,3)14-8(13)12-7-10(6-11)4-5-10/h4-7,11H2,1-3H3,(H,12,13) |
| InChI Key | QDMJKYSNGKLNDA-UHFFFAOYSA-N |
| MDL Number | MFCD24212994 |
| Molecular Formula | C10H20N2O2 |
| Molecular Weight | 200.2780 |
| SMILES | CC(C)(C)OC(=O)NCC1(CC1)CN |
| Synonyms | 1147109-42-9,
tert-Butyl ((1-(aminomethyl)cyclopropyl)methyl)carbamate,
tert-butyl N-{[1-(aminomethyl)cyclopropyl]methyl}carbamate,
tert-butyl (1-(aminomethyl)cyclopropyl)methylcarbamate,
SCHEMBL13162528,
ZINC168995085,
DA-47759,
FT-0768791,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.282g/mol |
| Monoisotopic Mass | 200.152g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
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