AG002Q0X

24964-76-9 | Butane, 1,1,1-triethoxy-

AG002Q0X

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CAS Number	24964-76-9
Catalog Number	AG002Q0X(AGN-PC-0JQLUE)
Chemical Name	Butane, 1,1,1-triethoxy-
IUPAC Name	1,1,1-triethoxybutane
InChI	InChI=1S/C10H22O3/c1-5-9-10(11-6-2,12-7-3)13-8-4/h5-9H2,1-4H3
InChI Key	KOPMZTKUZCNGFY-UHFFFAOYSA-N
MDL Number	MFCD29765321
Molecular Formula	C10H22O3
Molecular Weight	190.2799
NSC Number	646223
SMILES	CCCC(OCC)(OCC)OCC
Synonyms	1,1,1-Triethoxybutane, Triethyl Orthobutyrate, 24964-76-9, Triethylorthobutyrate, Ortho-n-butyric acid triethyl ester, NSC646223, triethoxybutane, Butane, 1,1,1-triethoxy-, ACMC-209gg3, AC1L83KU, AC1Q2UO0, AC1Q58JZ, KSC492M1J, SCHEMBL1691770, CHEMBL2000498, Orthobutyric Acid Triethyl Ester, CTK3J2614, DTXSID90327334, KOPMZTKUZCNGFY-UHFFFAOYSA-N, KS-000012PL, ZINC1630039, 1,1,1-Triethoxybutane, AldrichCPR, ANW-25585, MFCD00059382, AKOS009159014, NE11102, NSC-646223, RL02812, RTR-030726, TRA0005665, AJ-28443, CJ-05831, CJ-26256, NCI60_015955, SC-76364, AB0011530, DB-026917, TR-030726, FT-0638479, O0173, ST24036574, EN300-60547, A817576, I14-5891, J-525074, F8889-4840, Ethyl Orthobutyrate, KST-1B2247, C10H22O3, AR-1B3829, CID371779, 25109-04-0,

Complexity	97.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.157g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	190.283g/mol
Monoisotopic Mass	190.157g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	27.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319
Packing Group	Ⅲ
Precautionary statements	P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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