AG00IBVQ

689-11-2 | Urea, (1-methylpropyl)-

AG00IBVQ

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CAS Number	689-11-2
Catalog Number	AG00IBVQ(AGN-PC-0JKAQR)
Chemical Name	Urea, (1-methylpropyl)-
EC Number	211-709-1
IUPAC Name	butan-2-ylurea
InChI	InChI=1S/C5H12N2O/c1-3-4(2)7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)
InChI Key	CBRSBDUOPJQVMP-UHFFFAOYSA-N
MDL Number	MFCD00025453
Molecular Formula	C5H12N2O
Molecular Weight	116.1616
NSC Number	27458
SMILES	C(NC(=O)N)(CC)C
Synonyms	689-11-2, N-sec-Butylurea, SEC-BUTYLUREA, N-(1-METHYLPROPYL)UREA, Urea, (1-methylpropyl)-, Urea, sec-butyl-, 1-sec-butylurea, (butan-2-yl)urea, N-(sec-butyl)urea, Secondary butylurea, Urea, 1-sec-butyl-, sec-butyl urea, Urea, N-(1-methylpropyl)-, HSDB 5742, EINECS 211-709-1, NSC 27458, sec-Butyl-harnstoff, secbutylurea;, s-butylurea, sec-butyl urea;, sec-butyl-urea;, butan-2-ylurea, N-s-butylurea;, 1-sec-butylurea;, NSC27458, (1-methylpropyl)urea;, AC1Q2SBI, DSSTox_CID_7294, amino-N-(methylpropyl)amide, DSSTox_RID_78392, DSSTox_GSID_27294, SCHEMBL43129, KSC497Q3F, CHEMBL3186814, DTXSID8027294, CTK3J7832, CBRSBDUOPJQVMP-UHFFFAOYSA-N, HMS1755L01, AC1L2074, EBD44210, Tox21_301703, MFCD00025453, NSC-27458, SBB008605, AKOS000116847, AKOS017268968, FR-2317, MCULE-6186330882, RL04632, RTR-022960, VZ32890, NCGC00255161-01, AN-47223, CAS-689-11-2, DB-055203, LS-159225, TR-022960, FT-0632810, EN300-09349, 689M112, J-523179, I14-11762, Z56979270, UNII-U467SL0X4P, U467SL0X4P, C5-H12-N2-O, CID12715,

Complexity	82.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	116.095g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	116.164g/mol
Monoisotopic Mass	116.095g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.3

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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