AG0073OO

42042-68-2 | 4-METHYLAMINO BUTANOL

AG0073OO

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CAS Number	42042-68-2
Catalog Number	AG0073OO(AGN-PC-0WAJ57)
Chemical Name	4-METHYLAMINO BUTANOL
IUPAC Name	4-(methylamino)butan-1-ol
InChI	InChI=1S/C5H13NO/c1-6-4-2-3-5-7/h6-7H,2-5H2,1H3
InChI Key	DBKSSENEKWOVKL-UHFFFAOYSA-N
MDL Number	MFCD01704929
Molecular Formula	C5H13NO
Molecular Weight	103.1628
SMILES	OCCCCNC
Synonyms	4-(Methylamino)butan-1-ol, 42042-68-2, 4-methylaminobutanol, 4-METHYLAMINO BUTANOL, 4-(methylamino)butanol, n-methyl-4-aminobutanol, 4-methylamino-butan-1-ol, 4-(methylamino)-1-butanol, n-methyl-4-hydroxybutylamine, SCHEMBL178401, 4-(N-methylamino)butan-1-ol, N-Methyl-N-4-hydroxybutylamin, CTK4I5603, DTXSID20431413, DBKSSENEKWOVKL-UHFFFAOYSA-N, ZINC2568136, 5794AB, MFCD00673140, AKOS010934644, CS-W006493, MCULE-9264393637, NE44725, KS-00000O76, AJ-41574, AK112657, BS-12744, C3169, ST24043106, Z1603771352, 4-methylaminobutan-1-ol, C5H13NO, ACN-051370, CID9833937,

Complexity	31.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	103.1g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	103.165g/mol
Monoisotopic Mass	103.1g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

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

Lot Number