AG00IMPM

13105-53-8 | Carbamic acid, butyl-, phenylmethyl ester

AG00IMPM

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CAS Number	13105-53-8
Catalog Number	AG00IMPM(AGN-PC-0LAN4K)
Chemical Name	Carbamic acid, butyl-, phenylmethyl ester
IUPAC Name	benzyl N-butylcarbamate
InChI	InChI=1S/C12H17NO2/c1-2-3-9-13-12(14)15-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,13,14)
InChI Key	VQJDBGSINGXXEB-UHFFFAOYSA-N
MDL Number	MFCD00158472
Molecular Formula	C12H17NO2
Molecular Weight	207.2689
SMILES	O=C(OCC1=CC=CC=C1)NCCCC
Synonyms	benzyl butylcarbamate, Benzyl N-butylcarbamate, 13105-53-8, Carbamic acid, butyl-, phenylmethyl ester, AC1N9FXW, (Benzyloxycarbonyl)butylamine, butylcarbamic acid benzyl ester, SCHEMBL1667805, CTK0F5571, DTXSID40402963, ZINC3086153, MFCD00158472, AKOS024340201, MCULE-1046690627, AK279495, DS-11146, CID4410025,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.126g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	207.273g/mol
Monoisotopic Mass	207.126g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H412
Packing Group
Precautionary statements	P273
UN Code

Certificate of Analysis

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