| CAS Number | 91419-46-4 |
| Catalog Number | AG00IGNB(AGN-PC-045UZH) |
| Chemical Name | Carbamic acid, (4-amino-4-oxobutyl)-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-(4-amino-4-oxobutyl)carbamate |
| InChI | InChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)11-6-4-5-7(10)12/h4-6H2,1-3H3,(H2,10,12)(H,11,13) |
| InChI Key | JDLJEEHPJMRSIG-UHFFFAOYSA-N |
| MDL Number | MFCD11045788 |
| Molecular Formula | C9H18N2O3 |
| Molecular Weight | 202.2508 |
| SMILES | O=C(OC(C)(C)C)NCCCC(=O)N |
| Synonyms | 91419-46-4,
(3-CARBAMOYL-PROPYL)-CARBAMIC ACID TERT-BUTYL ESTER,
Boc-4-aminobutanamide,
tert-Butyl (4-amino-4-oxobutyl)carbamate,
SCHEMBL4967290,
DTXSID00635139,
MFCD11045788,
VT1115,
ZINC61485227,
AKOS009024458,
AM804541,
CS-0036339,
tert-butyl N-(4-amino-4-oxobutyl)carbamate,
(3-Carbamoylpropyl)carbamic acid tert-butyl ester,
Carbamic acid, (4-amino-4-oxobutyl)-, 1,1-dimethylethyl ester,
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| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.254g/mol |
| Monoisotopic Mass | 202.132g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number