AG002ZYI

30389-18-5 | Cyclohexanamine, 1-​ethynyl-

AG002ZYI

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CAS Number	30389-18-5
Catalog Number	AG002ZYI(AGN-PC-0JLNNE)
Chemical Name	Cyclohexanamine, 1-​ethynyl-
EC Number	250-172-8
IUPAC Name	1-ethynylcyclohexan-1-amine
InChI	InChI=1S/C8H13N/c1-2-8(9)6-4-3-5-7-8/h1H,3-7,9H2
InChI Key	GDKOYYDQISQOMH-UHFFFAOYSA-N
MDL Number	MFCD00001489
Molecular Formula	C8H13N
Molecular Weight	123.1955
SMILES	C(#C)C1(N)CCCCC1
Synonyms	1-Ethynylcyclohexylamine, 30389-18-5, 1-ethynylcyclohexanamine, Cyclohexanamine, 1-ethynyl-, 1-ethynylcyclohexan-1-amine, Cyclohexanamine,1-ethynyl-, 1-Ethynyl-cyclohexylamine, MFCD00001489, EINECS 250-172-8, ZERO/005504, 1-ethynylcyclohexaneamine, 1-ethynylcyclohexyl amine, 1-ethinyl-cyclohexyl-amine, AC1L3T7Y, AC1Q50GD, SCHEMBL132392, 1-ethynyl-1-amino-cyclohexane, 1-Ethynylcyclohexylamine, 98%, AC1Q283Z, DTXSID5067554, CTK4G5124, GDKOYYDQISQOMH-UHFFFAOYSA-N, 1-(1-ethynyl)-1-cyclohexanamine, KS-000018UX, ZINC2140860, SBB002516, STK689767, AKOS005602179, MCULE-4253590078, BP-12341, FS001801, ST096971, I05-2862, J-017943, InChI=1/C8H13N/c1-2-8(9)6-4-3-5-7-8/h1H,3-7,9H, C8-H13-N, AR-1C3076, CID121691, Cyclohexanamine, 1-ethynyl- (9CI), 31542-50-4,

Complexity	134
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	123.105g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	123.199g/mol
Monoisotopic Mass	123.105g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8(3)
Hazard statements	H318-H226-H314
Packing Group	Ⅱ
Precautionary statements	P210-P260h-P303+P361+P353-P405-P501a-P280-P305+P351+P338-P310
UN Code	UN 2734

Certificate of Analysis

Lot Number