AG003DI0

38661-72-2 | 1,3-Bis(isocyanatomethyl)cyclohexane

AG003DI0

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CAS Number	38661-72-2
Catalog Number	AG003DI0(AGN-PC-0WBQFN)
Chemical Name	1,3-Bis(isocyanatomethyl)cyclohexane
EC Number	609-567-4
IUPAC Name	1,3-bis(isocyanatomethyl)cyclohexane
InChI	InChI=1S/C10H14N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h9-10H,1-6H2
InChI Key	XSCLFFBWRKTMTE-UHFFFAOYSA-N
MDL Number	MFCD00129947
Molecular Formula	C10H14N2O2
Molecular Weight	194.2304
SMILES	N(=C=O)CC1CC(CCC1)CN=C=O
UN Number	2206
Synonyms	1,3-bis(isocyanatomethyl)cyclohexane, 1,3-bis(NCOMe)cyclohexane, 1,3-Bis(isocyanatomethyl)cyclohexane, 38661-72-2, Takenate 600, 1,3-Bis(methylisocyanate)cyclohexane, Cyclohexane, 1,3-bis(isocyanatomethyl)-, ISOCYANIC ACID, CYCLOHEXANE-1,3-DIYLDIMETHYLENEDI-, [3-(isocyanatomethyl)cyclohexyl]methanisocyanate, AC1L1EDI, ACMC-20ap54, DSSTox_CID_24933, DSSTox_RID_80598, DSSTox_GSID_44933, SCHEMBL43488, CHEMBL3184736, DTXSID6044933, XSCLFFBWRKTMTE-UHFFFAOYSA-N, 1,3-diisocyanato methylcyclohexane, 1,3-diisocyanato methyl-cyclohexane, Tox21_301661, MFCD00129947, SBB061672, AKOS000120106, MCULE-2367898410, ACM38661722, 1,3-bis-(isocyanato-methyl)-cyclohexane, NCGC00256035-01, 75138-76-0, BBV-75780607, LS-84440, CAS-38661-72-2, TC-172255, FT-0700953, ST51047665, 1,3-Bis(methylisocyanate)cyclohexane [Diisocyanates], I14-46713, F2191-0301, 1,3-Bis(isocyanatomethyl)cyclohexane (mixt. cis & trans), 1,3-Bis(isocyanatomethyl)cyclohexane (cis and trans- mixture), 1,3-Bis(isocyanatomethyl)cyclohexane, mixture of cis and trans, 99%, UNII-EYM450423G, EYM450423G, CID53172, C10-H14-N2-O2, B1538, 1,3-Bis(isocyanatomethyl)cyclohexane, 99%, mixture of cis- and trans- - 100ML 100ml,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.106g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	194.234g/mol
Monoisotopic Mass	194.106g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	58.9A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H314-H317-H330-H334-H335-H413
Precuationary statements	P260-P264-P270-P271-P272-P273-P280-P284-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P403+P233-P405-P501
Siginal words

Certificate of Analysis

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