AG000DCG

116861-31-5 | Carbamic acid, N-(3-chloropropyl)-, 1,1-dimethylethyl ester

AG000DCG

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CAS Number	116861-31-5
Catalog Number	AG000DCG(AGN-PC-0ND1SK)
Chemical Name	Carbamic acid, N-(3-chloropropyl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-(3-chloropropyl)carbamate
InChI	InChI=1S/C8H16ClNO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6H2,1-3H3,(H,10,11)
InChI Key	GLGLWGNZBMZWHG-UHFFFAOYSA-N
MDL Number	MFCD07781306
Molecular Formula	C8H16ClNO2
Molecular Weight	193.6711
SMILES	CC(C)(C)OC(=O)NCCCCl
Synonyms	116861-31-5, N-Boc-3-Chloropropylamine, tert-Butyl (3-chloropropyl)carbamate, 1-Boc-3-chloropropylamine, Tert-butyl N-(3-chloropropyl)carbamate, tert-butyl 3-chloropropylcarbamate, Carbamic acid,N-(3-chloropropyl)-, 1,1-dimethylethyl ester, (3-Chloropropyl)-carbamic acid tert-butyl ester, Carbamic acid, N-(3-chloropropyl)-, 1,1-dimethylethyl ester, N-Boc chloropropylamine, BocNH-(CH2)3-Cl, ACMC-20a4p9, SCHEMBL904060, Jsp001178, CTK4B0029, DTXSID40448780, GLGLWGNZBMZWHG-UHFFFAOYSA-N, t-butyl (3-chloropropyl)carbamate, tert-butyl 3-chloropropy-lcarbamate, 2753AA, ANW-57019, MFCD07781306, ZINC14982957, AKOS006284424, VZ33781, AJ-65768, AS-30287, SC-82842, AB0110135, DB-005459, N-(tert-Butoxycarbonyl)-3-chloropropylamine, TC-145764, 3-(tert-Butyloxycarbonylamino)propyl chloride, 3-Chloropropylcarbamic acid tert-butyl ester, FT-0080158, FT-0600064, ST24031689, 1-(tert.-butoxycarbonylamino)-3-chloropropane, 1-CHLOROPROPYL-2-TERT-BUTYL CARBAMATE, N-[(tert-butoxy)carbonyl]-3-chloro-propylamine, TERT-BUTYL-N-(3-CHLOROPROPYL)CARBAMATE, (3-Chloro-propyl)-carbamic acid tert-butyl ester, tert-Butyl N-(3-chloropropyl)carbamate, AldrichCPR, (3-Chloropropyl)carbamic acid 1,1-dimethylethyl ester, Carbamic acid, (3-chloropropyl)-, 1,1-dimethylethyl ester, Carbamic acid,N-(3-chloropropyl)-,1,1-dimethylethyl ester, C8H16ClNO2, CID10932310, W-1544, Carbamic acid, (3-chloropropyl)-, 1,1-dimethylethyl ester (9CI),

Complexity	143
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.087g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	193.671g/mol
Monoisotopic Mass	193.087g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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