AG00DFII

52430-81-6 | Cyclohexanamine, 4-(1-methylethyl)- (9CI)

AG00DFII

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CAS Number	52430-81-6
Catalog Number	AG00DFII(AGN-PC-0WNPT2)
Chemical Name	Cyclohexanamine, 4-(1-methylethyl)- (9CI)
IUPAC Name	4-propan-2-ylcyclohexan-1-amine
InChI	InChI=1S/C9H19N/c1-7(2)8-3-5-9(10)6-4-8/h7-9H,3-6,10H2,1-2H3
InChI Key	MFRKYEJMLQUSJX-UHFFFAOYSA-N
MDL Number	MFCD16853065
Molecular Formula	C9H19N
Molecular Weight	141.2539
SMILES	CC(C)C1CCC(N)CC1
Synonyms	4-Isopropylcyclohexanamine, 52430-81-6, 4-Isopropylcyclohexylamine, 4-(propan-2-yl)cyclohexan-1-amine, 1-Amino-4-isopropylcyclohexane, 4-propan-2-ylcyclohexan-1-amine, MFRKYEJMLQUSJX-UHFFFAOYSA-N, Cyclohexanamine, 4-(1-methylethyl)- (9CI), AC1L9KJ5, 4-Isopropylcyclohexanamine #, 23775-41-9, Cyclohexanamine, 4-(1-methylethyl)-, trans- (9CI), SCHEMBL1765373, SCHEMBL1765374, SCHEMBL4829885, SCHEMBL8236383, SCHEMBL13255789, trans 4-isopropyl-cyclohexylamine, DTXSID00329546, MFRKYEJMLQUSJX-DTORHVGOSA-N, MFRKYEJMLQUSJX-KYZUINATSA-N, trans-4-isopropyl-cyclo-hexylamine, ZINC1870722, 7402AB, MFCD16853065, AKOS006286611, AKOS006338256, AKOS011997600, cis-4-(1-methylethyl)-cyclohexanamine, ZINC104558254, MCULE-2613416683, NE16123, KS-0000171M, 23775-42-0, AJ-32187, FT-0764216, I0853, (1s,4s)-4-(propan-2-yl)cyclohexan-1-amine, 4-Isopropylcyclohexylamine(cis-andtrans-mixture), CYCLOHEXANAMINE, 4-(1-METHYLETHYL)-, CIS-, 4-Isopropylcyclohexylamine (cis- and trans- mixture), F2147-1878, Z1431920316, Cyclohexanamine,4- -, C9H19N, CYCLOHEXANAMINE,4- -,CIS-, CID421053, NSC129971, CYCLOHEXANAMINE, 4-(1-METHYLETHYL)-, CIS,

Complexity	90.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	141.152g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	141.258g/mol
Monoisotopic Mass	141.152g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3(8)
Hazard statements	H226-H314
Packing Group	Ⅲ
Precautionary statements	P210-P233-P240-P241+P242+P243-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P403+P235-P405-P501
UN Code	UN 2733

Certificate of Analysis

Lot Number