| CAS Number | 191871-91-7 |
| Catalog Number | AG002FI8(AGN-PC-0QKU1Z) |
| Chemical Name | tert-butyl N-{[4-(aminomethyl)phenyl]methyl}-N-methylcarbamate |
| IUPAC Name | tert-butyl N-[4-(aminomethyl)phenyl]-N-methylcarbamate |
| InChI | InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15(4)11-7-5-10(9-14)6-8-11/h5-8H,9,14H2,1-4H3 |
| InChI Key | IGHYTPRPKZWCGC-UHFFFAOYSA-N |
| MDL Number | MFCD09953964 |
| Molecular Formula | C14H22N2O2 |
| Molecular Weight | 250.3367 |
| SMILES | CN(C(OC(C)(C)C)=O)CC1=CC=C(CN)C=C1 |
| Synonyms | 191871-91-7,
tert-Butyl 4-(aminomethyl)phenyl(methyl)carbamate,
tert-butyl N-[4-(aminomethyl)phenyl]-N-methylcarbamate,
tert-Butyl (4-(aminomethyl)phenyl)(methyl)carbamate,
(4-Aminomethyl-phenyl)-methyl-carbamic acid tert-butyl ester,
SCHEMBL16856539,
CTK4E0831,
DTXSID70651280,
MFCD09953964,
SBB098638,
ZINC19738632,
AKOS009420881,
AJ-74806,
FT-0678599,
Z-0058,
tert-Butyl [4-(aminomethyl)phenyl]methylcarbamate,
I05-2408,
N-[4-(aminomethyl)phenyl](tert-butoxy)-N-methylcarboxamide,
1040682-07-2,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.315g/mol |
| Monoisotopic Mass | 236.152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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