| CAS Number | 27701-01-5 |
| Catalog Number | AG01DTQB(AGN-PC-0JT5N2) |
| Chemical Name | Carbamic acid, (1,1-dimethylethyl)-, methyl ester |
| IUPAC Name | methyl N-tert-butylcarbamate |
| InChI | InChI=1S/C6H13NO2/c1-6(2,3)7-5(8)9-4/h1-4H3,(H,7,8) |
| InChI Key | HBCAQUUDOCPMTB-UHFFFAOYSA-N |
| MDL Number | MFCD01325752 |
| Molecular Formula | C6H13NO2 |
| Molecular Weight | 131.1729 |
| SMILES | C(C)(C)(C)NC(OC)=O |
| Synonyms | 27701-01-5,
Carbamic acid, (1,1-dimethylethyl)-, methyl ester,
Methyl tert-butylcarbamate,
AC1LB3HE,
methyl N-tert-butylcarbamate,
Methyl tert-butylcarbamate #,
Carbamic acid, N-(1,1-dimethylethyl)-, methyl ester,
SCHEMBL2757922,
CTK6J2901,
HBCAQUUDOCPMTB-UHFFFAOYSA-N,
ZINC5383633,
tert-Butylcarbamic acid methyl ester,
AKOS003849038,
CID575684,
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| Complexity | 104 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 131.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 131.175g/mol |
| Monoisotopic Mass | 131.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number