3-(Dimethylamino)-1,2-propanediol - CAS 623-57-4

Catalog:	BB031549
Product Name:	3-(Dimethylamino)-1,2-propanediol
CAS:	623-57-4
Synonyms:	3-(dimethylamino)propane-1,2-diol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-(dimethylamino)propane-1,2-diol
Description:	3-(Dimethylamino)-1,2-propanediol (CAS# 623-57-4) is a reagent in the synthesis of 1,2-Dioleoyl-3-trimethylammonium-propane, Chloride (D484450).
Molecular Weight:	119.16
Molecular Formula:	C5H13NO2
Canonical SMILES:	CN(C)CC(CO)O
InChI:	InChI=1S/C5H13NO2/c1-6(2)3-5(8)4-7/h5,7-8H,3-4H2,1-2H3
InChI Key:	QCMHUGYTOGXZIW-UHFFFAOYSA-N
Boiling Point:	216-217 °C
Density:	1.004 g/cm³
MDL:	MFCD00004714
LogP:	-1.09880

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Related Functional Groups

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Oxygen Compounds

[544-62-7]
Batyl alcohol
[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[1427004-19-0]
DBCO-PEG4-NHS ester
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	56.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	119.094628657
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	119.094628657
Rotatable Bond Count:	3
Topological Polar Surface Area:	43.7 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-1