AG002VKP

285119-72-4 | Carbamic acid, N-[(6-chloro-3-pyridinyl)methyl]-, 1,1-dimethylethyl ester

AG002VKP

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CAS Number	285119-72-4
Catalog Number	AG002VKP(AGN-PC-00P9O4)
Chemical Name	Carbamic acid, N-[(6-chloro-3-pyridinyl)methyl]-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-[(6-chloropyridin-3-yl)methyl]carbamate
InChI	InChI=1S/C11H15ClN2O2/c1-11(2,3)16-10(15)14-7-8-4-5-9(12)13-6-8/h4-6H,7H2,1-3H3,(H,14,15)
InChI Key	MGMROIDEKDNQND-UHFFFAOYSA-N
MDL Number	MFCD11974332
Molecular Formula	C11H15ClN2O2
Molecular Weight	242.7020
SMILES	O=C(OC(C)(C)C)NCC1=CC=C(Cl)N=C1
Synonyms	285119-72-4, tert-butyl [(6-chloropyridin-3-yl)methyl]carbamate, tert-Butyl ((6-chloropyridin-3-yl)methyl)carbamate, tert-butyl N-[(6-chloropyridin-3-yl)methyl]carbamate, tert-butyl [(6-chloro-3-pyridinyl)methyl]carbamate, Tert-butyl[(6-chloropyridin-3-yl)methyl]carbamate, PubChem24214, SCHEMBL506742, CTK8E6422, DTXSID80572891, MGMROIDEKDNQND-UHFFFAOYSA-N, ALBB-012308, MFCD11974332, STL089984, ZINC40457269, AKOS005173718, MCULE-4801928784, AS-47098, AJ-103345, RT-024267, FT-0683542, Y-6930, 3-(tert-Butoxycarbonylamino-methyl)-6-chloropyridine, J-017109, tert-Butyl (6-chloro-pyridin-3-ylmethyl)-carbamate, 5-(tert-butoxycarbonylamino-methyl)-2-chloro-pyridine, I14-28523, (6-Chloro-3-pyridinylmethyl)carbamic acid tert-butyl ester, (6-chloropyridin-3-ylmethyl)carbamic acid tert-butyl ester, Carbamic acid, [(6-chloro-3-pyridinyl)methyl]-, 1,1-dimethylethyl ester, Carbamic acid, N-[(6-chloro-3-pyridinyl)methyl]-, 1,1-dimethylethyl ester, tert-Butyl((6-chloropyridin-3-yl)methyl)carbamate,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.082g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	242.703g/mol
Monoisotopic Mass	242.082g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	51.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

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