AG00IBTB

68282-49-5 | 1H-Imidazole-4-carboxaldehyde, 2-butyl-

AG00IBTB

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CAS Number	68282-49-5
Catalog Number	AG00IBTB(AGN-PC-0OGJ2V)
Chemical Name	1H-Imidazole-4-carboxaldehyde, 2-butyl-
IUPAC Name	2-butyl-1H-imidazole-5-carbaldehyde
InChI	InChI=1S/C8H12N2O/c1-2-3-4-8-9-5-7(6-11)10-8/h5-6H,2-4H2,1H3,(H,9,10)
InChI Key	PTHGVOCFAZSNNA-UHFFFAOYSA-N
MDL Number	MFCD01075030
Molecular Formula	C8H12N2O
Molecular Weight	152.1937
SMILES	CCCCC1=NC(C=O)=CN1
UNII	U12G73SQSX
Synonyms	2-Butyl-1H-imidazole-4-carbaldehyde, 68282-49-5, 2-butyl-5-formylimidazole, 2-butyl-1H-imidazole-5-carbaldehyde, 2-butyl-1H-imidazole-5-carboxaldehyde, 2-Butyl-4-formylimidazole, 2-Butyl-4-imidazolyl formaldehyde, UNII-U12G73SQSX, U12G73SQSX, 1H-Imidazole-4-carboxaldehyde, 2-butyl-, 1H-Imidazole-5-carboxaldehyde, 2-butyl-, 1H-Imidazole-5-carboxaldehyde,2-butyl-, 2-N-Butyl-4-imidazolecarboxaldehyde, 2-N-Butyl-5-imidazolecarboxaldehyde, PubChem9444, AC1MC3UG, 2-butylimidazol-5-aldehyde, 2-n-butyl-5-formylimidazole, SCHEMBL633213, 2-butylimidazole-4-carbaldehyde, 2-Butyl-4-imidazolylformaldehyde, CTK5C7716, DTXSID50218431, PTHGVOCFAZSNNA-UHFFFAOYSA-N, BCP12028, KS-000013UL, ZINC2572502, ANW-57407, CB-047, KM1190, MFCD01075030, SBB052317, 2-Butyl-3H-imidazole-4-carbaldehyde, AKOS006223225, 2-Butyl-3H-imidazole-4-carboxaldehyde, 2-n-butyl-1H-imidazole-4-carbaldehyde, AB42979, AC-8738, AN-7725, PS-4369, RP21635, AJ-42026, BP-10338, CJ-09956, SC-06246, DB-015191, TC-146152, B4064, FT-0611631, 2-butyl-1H-imidazole-4-carbaldehyde, AldrichCPR, 282B495, A836077, I14-3926, J-508570, C8H12N2O, ZINC02572502, CID2735671,

Complexity	127
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.095g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	152.197g/mol
Monoisotopic Mass	152.095g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319
Precuationary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Siginal words

Certificate of Analysis

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