AG00G86W

78531-45-0 | 2-(Dimethylamino)propane-1,3-diol

AG00G86W

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CAS Number	78531-45-0
Catalog Number	AG00G86W(AGN-PC-0MY17Q)
Chemical Name	2-(Dimethylamino)propane-1,3-diol
IUPAC Name	2-(dimethylamino)propane-1,3-diol
InChI	InChI=1S/C5H13NO2/c1-6(2)5(3-7)4-8/h5,7-8H,3-4H2,1-2H3
InChI Key	CUACAHUDGBWTME-UHFFFAOYSA-N
MDL Number	MFCD15474854
Molecular Formula	C5H13NO2
Molecular Weight	119.1622
SMILES	OCC(N(C)C)CO
Synonyms	2-(Dimethylamino)propane-1,3-diol, 78531-45-0, 2-DIMETHYLAMINO-PROPANE-1,3-DIOL, 1,3-dihydroxy-2-dimethylamino-propane, SCHEMBL824974, DTXSID20434787, 1263AJ, ZINC95635072, NE63007, 2-(n,n-dimethylamino)-1,3-propanediol, AJ-133184, FT-0740363, 2-Dimethylamino-propane-1,3-diol, AldrichCPR, C5H13NO2, 2-dimethylaminopropane-1,3-diol, 2-(dimethylamino)-1,3-Propanediol, CID10057488,

Complexity	52.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	119.095g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	119.164g/mol
Monoisotopic Mass	119.095g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number