AG003TEX

2978-11-2 | O-(4-NITROBENZYL)-N,N-DIISOPROPYLISOUREA

AG003TEX

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CAS Number	2978-11-2
Catalog Number	AG003TEX(AGN-PC-0R590J)
Chemical Name	O-(4-NITROBENZYL)-N,N-DIISOPROPYLISOUREA
EC Number	221-027-6
IUPAC Name	(4-nitrophenyl)methyl N,N'-di(propan-2-yl)carbamimidate
InChI	InChI=1S/C14H21N3O3/c1-10(2)15-14(16-11(3)4)20-9-12-5-7-13(8-6-12)17(18)19/h5-8,10-11H,9H2,1-4H3,(H,15,16)
InChI Key	FYDMCLCYYCIDMZ-UHFFFAOYSA-N
MDL Number	MFCD00042046
Molecular Formula	C14H21N3O3
Molecular Weight	279.3348
SMILES	CC(/N=C(OCC1=CC=C([N+]([O-])=O)C=C1)NC(C)C)C
Synonyms	4-nitrobenzyl 8, p-nitrobenzyl 8, para-nitrobenzyl 8, 2978-11-2, O-(4-Nitrobenzyl)-N,N'-diisopropylisourea, 4-Nitrobenzyl 8, 4-nitrobenzyl n,n'-diisopropylcarbamimidate, O-p-Nitrobenzyl-N,N'-diisopropylurea, O-p-Nitrobenzyl-N,N'-diisopropylisourea, 1,3-Diisopropyl-2-(4-nitrobenzyl)isourea, CCRIS 7994, O-(P-NITROBENZYL)-N,N'-DIISOPROPYLUREA, EINECS 221-027-6, 1,3-Diisopropyl-2-(p-nitrobenzyl)isourea, N,N'-Diisopropyl-O-(4-nitrobenzyl)isourea, Carbamimidic acid,N,N'-bis(1-methylethyl)-, (4-nitrophenyl)methyl ester, Carbamimidic acid, N,N'-bis(1-methylethyl)-, (4-nitrophenyl)methyl ester, NBDI, ACMC-20ak0p, AC1Q1ZCO, AC1L2QN8, SCHEMBL572520, CTK4G3807, FYDMCLCYYCIDMZ-UHFFFAOYSA-, MFCD00042046, ZINC16054437, AKOS015913100, AKOS025293907, AB01889, VZ33505, o-(p-nitrobenzyl)-n,n'-diisopropylisourea, LS-188291, TR-012892, (E)-4-nitrobenzyl N,N'-diisopropylcarbamimidate, C-17573, J-017635, I14-45635, (4-nitrophenyl)methyl N,N'-di(propan-2-yl)carbamimidate, N,N-Diisopropyl-O-(4-nitrobenzyl)isourea [for HPLC Labeling], 1-[(4-nitrophenyl)methoxy]-N,N'-di(propan-2-yl)methanimidamide, N,N inverted exclamation marka-Diisopropyl-O-(4-nitrobenzyl)isourea, O-(4-Nitrobenzyl)-N,N inverted exclamation marka-diisopropylisourea, N,N'-Diisopropyl-O-(4-nitrobenzyl)isourea, for HPLC derivatization, >=90% (CHN), InChI=1/C14H21N3O3/c1-10(2)15-14(16-11(3)4)20-9-12-5-7-13(8-6-12)17(18)19/h5-8,10-11H,9H2,1-4H3,(H,15,16), Formyldimethylamine, CID76317, O- -N,N'-DIISOPROPYLISOUREA, AR-1G3957, A5506, 3174-02-5,

Complexity	329
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	279.158g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	279.34g/mol
Monoisotopic Mass	279.158g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	79.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
UN Code

Certificate of Analysis

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