AG0033TI

42042-71-7 | 4-(Isopropylamino)butanol

AG0033TI

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CAS Number	42042-71-7
Catalog Number	AG0033TI(AGN-PC-0WAL4A)
Chemical Name	4-(Isopropylamino)butanol
IUPAC Name	4-(propan-2-ylamino)butan-1-ol
InChI	InChI=1S/C7H17NO/c1-7(2)8-5-3-4-6-9/h7-9H,3-6H2,1-2H3
InChI Key	IPLWOCGPIGUXOR-UHFFFAOYSA-N
MDL Number	MFCD14708173
Molecular Formula	C7H17NO
Molecular Weight	131.2160
SMILES	C(C)(C)NCCCCO
Synonyms	4-(Isopropylamino)butanol, 42042-71-7, 4-(isopropylamino)-1-butanol, 4-[(Propan-2-yl)amino]butan-1-ol, ACMC-209jn2, SCHEMBL104210, 4-hydroxy-N-isopropylbutylamine, 4-(isopropyl amino)butan-1-ol, CTK8B1673, DTXSID70513753, IPLWOCGPIGUXOR-UHFFFAOYSA-N, 4-(propan-2-ylamino)butan-1-ol, 4-hydroxy-N-isopropylbutan-1-amine, BCP16963, CS-M3069, KS-000010FR, ANW-29724, MFCD14708173, ZINC39347528, AKOS005302345, DS-9159, AK176307, TC-118469, I0756, I14-56471, 4-(ISOPROPYLAMINO)BUTAN-1-OL, ACN-051531,

Complexity	54.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	131.131g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	131.219g/mol
Monoisotopic Mass	131.131g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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

Lot Number