AG00EQLP

63998-62-9 | 4-(4-Chlorophenyl)butan-1-amine

AG00EQLP

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CAS Number	63998-62-9
Catalog Number	AG00EQLP(AGN-PC-0NAC2E)
Chemical Name	4-(4-Chlorophenyl)butan-1-amine
IUPAC Name	4-(4-chlorophenyl)butan-1-amine
InChI	InChI=1S/C10H14ClN/c11-10-6-4-9(5-7-10)3-1-2-8-12/h4-7H,1-3,8,12H2
InChI Key	DBRKOJIBBAJAII-UHFFFAOYSA-N
MDL Number	MFCD09886649
Molecular Formula	C10H14ClN
Molecular Weight	183.6779
SMILES	NCCCCC1=CC=C(Cl)C=C1
Synonyms	4-(4-chlorophenyl)butan-1-amine, 63998-62-9, Benzenebutanamine, 4-chloro-, p-chlorophenylbutylamine, 4-(p-chlorophenyl)butylamine, SCHEMBL1570115, CTK2A7601, DTXSID60444663, DBRKOJIBBAJAII-UHFFFAOYSA-N, 4-(4-Chlorophenyl)butane-1-amine, MFCD09886649, VT1079, ZINC11596956, AKOS013464079, AB54564, MCULE-6928037348, CS-0059809, J3.550.049I, (4-chlorobenzyl)propylamine, 4- BUTAN-1-AMINE, CID10773822,

Complexity	108
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.081g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	183.679g/mol
Monoisotopic Mass	183.081g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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