AG003SHE

54648-79-2 | N,N′-Diisopropyl-O-methylisourea

AG003SHE

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CAS Number	54648-79-2
Catalog Number	AG003SHE(AGN-PC-0JPYS0)
Chemical Name	N,N′-Diisopropyl-O-methylisourea
EC Number	259-275-2
IUPAC Name	methyl N,N'-di(propan-2-yl)carbamimidate
InChI	InChI=1S/C8H18N2O/c1-6(2)9-8(11-5)10-7(3)4/h6-7H,1-5H3,(H,9,10)
InChI Key	PUVRRPLSJKDMKH-UHFFFAOYSA-N
MDL Number	MFCD00008866
Molecular Formula	C8H18N2O
Molecular Weight	158.2413
NSC Number	672441
SMILES	CO/C(NC(C)C)=NC(C)C
UNII	8YEQ5QMC58
Synonyms	o-Methyl-N,N'-diisopropylisourea, 54648-79-2, methyl n,n'-diisopropylcarbamimidate, N,N'-Diisopropyl-O-methylisourea, UNII-8YEQ5QMC58, 8YEQ5QMC58, MLS000766291, PUVRRPLSJKDMKH-UHFFFAOYSA-N, NSC672441, methyl N,N'-di(propan-2-yl)carbamimidate, Carbamimidic acid, N,N'-bis(1-methylethyl)-, methyl ester, 1,3-Diisopropyl-2-methylisourea, EINECS 259-275-2, Methyl N,N'-diisopropylimidocarbamate, NSC 672441, AC1Q41FM, AC1Q4T2C, AC1L8M76, SCHEMBL4141650, CHEMBL1598825, O-Methyl-N,N-diisopropylisourea, SCHEMBL17050367, CTK8J1820, DTXSID10203080, 1,3-diisopropyl-2-methyl-isourea, HMS2885D04, Methyl N,N-diisopropylcarbamimidate, MFCD00008866, ZINC13139292, methyl N,N'-diisopropyl-carbamimidate, AKOS022172459, FCH1117919, FCH3699254, FCH4162480, MCULE-5321040264, NSC-672441, NCGC00246861-01, o-Methyl-N,N'-diisopropylisourea, 97%, (E)-methyl N,N'-diisopropylcarbamimidate, AJ-63427, NCI60_025735, SMR000528875, D4587, FT-0708996, ST50998254, N,N'-Diisopropylcarbamimidic Acid Methyl Ester, C-34780, Methyl N-isopropyl-N'-[(Z)-1-methylethyl]imidocarbamate #, N,N inverted exclamation marka-Diisopropyl-O-methylisourea, N,N'-Diisopropyl-O-methylisourea, purum, >=97.0% (GC), o-Methyl-N,N inverted exclamation marka-diisopropylisourea, ((1Z)-1-methoxy-3-methyl-2-azabut-1-enyl)(methylethyl)amine, C8-H18-N2-O, AR-1J5947, CID383824, 54789-87-6,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.142g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	158.245g/mol
Monoisotopic Mass	158.142g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	33.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226
Packing Group	Ⅲ
Precautionary statements	P210-P403+P235
UN Code	UN 1993

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