AG0008KG

1134328-09-8 | Carbamic acid, N-[3-(methylamino)phenyl]-, 1,1-dimethylethyl ester

AG0008KG

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CAS Number	1134328-09-8
Catalog Number	AG0008KG(AGN-PC-0WAF4F)
Chemical Name	Carbamic acid, N-[3-(methylamino)phenyl]-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-[3-(methylamino)phenyl]carbamate
InChI	InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-10-7-5-6-9(8-10)13-4/h5-8,13H,1-4H3,(H,14,15)
InChI Key	OYQSQKBDOJILSC-UHFFFAOYSA-N
MDL Number	MFCD11858352
Molecular Formula	C12H18N2O2
Molecular Weight	222.2835
SMILES	O=C(OC(C)(C)C)NC1=CC=CC(NC)=C1
Synonyms	tert-Butyl (3-(methylamino)phenyl)carbamate, 1134328-09-8, tert-butyl N-[3-(methylamino)phenyl]carbamate, (3-methylamino-phenyl)-carbamic acid tert-butyl ester, AK-77341, tert-Butyl [3-(methylamino)phenyl]carbamate, SCHEMBL730506, CTK8B5196, KS-00000PKV, DTXSID20721003, OYQSQKBDOJILSC-UHFFFAOYSA-N, ANW-47925, MFCD11858352, ZINC72482150, AKOS015919645, FCH1628597, GS-3881, BR-77341, AB0034834, AJ-121217, AX8224056, TC-136670, 4CH-011271, ST24025795, X9055, S-5625, (3-methylaminophenyl)carbamic acid tert-butyl ester, Carbamic acid, N-[3-(methylamino)phenyl]-, 1,1-dimethylethyl ester, C12H18N2O2, tert-Butyl(3-(methylamino)phenyl)carbamate,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.137g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	222.288g/mol
Monoisotopic Mass	222.137g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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