| CAS Number | 213475-74-2 |
| Catalog Number | AG00BN15(AGN-PC-0QXX0H) |
| Chemical Name | Carbamic acid, [2-amino-1-(aminomethyl)ethyl]-, 1,1-dimethylethyl ester (9CI) |
| IUPAC Name | tert-butyl N-(1,3-diaminopropan-2-yl)carbamate |
| InChI | InChI=1S/C8H19N3O2/c1-8(2,3)13-7(12)11-6(4-9)5-10/h6H,4-5,9-10H2,1-3H3,(H,11,12) |
| InChI Key | FFCXTFAZMDAIIX-UHFFFAOYSA-N |
| MDL Number | MFCD20696567 |
| Molecular Formula | C8H19N3O2 |
| Molecular Weight | 189.2554 |
| SMILES | NCC(CN)NC(OC(C)(C)C)=O |
| Synonyms | Tert-butyl N-(1,3-diaminopropan-2-yl)carbamate,
213475-74-2,
tert-butyl (1,3-diaminopropan-2-yl)carbamate,
SCHEMBL2846888,
CTK8H5953,
ZINC38220784,
AKOS026727603,
MCULE-8647796713,
NE19468,
FT-0766778,
Z1295543900,
[2-Amino-1-(aminomethyl)ethyl]carbamic acid tert-butyl ester,
[2-amino-1-(aminomethyl)ethyl]-carbamic acid 1,1-dimethylethyl ester,
Carbamic acid, [2-amino-1-(aminomethyl)ethyl]-, 1,1-dimethylethyl ester (9CI),
CID11084635,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.259g/mol |
| Monoisotopic Mass | 189.148g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 90.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number