N-Methyl-D-Prolinol - CAS 99494-01-6

Catalog:	BB042300
Product Name:	N-Methyl-D-Prolinol
CAS:	99494-01-6
Synonyms:	[(2R)-1-methyl-2-pyrrolidinyl]methanol; [(2R)-1-methylpyrrolidin-2-yl]methanol

Technical Data

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Computed Properties

IUPAC Name:	[(2R)-1-methylpyrrolidin-2-yl]methanol
Description:	N-Methyl-D-Prolinol (CAS# 99494-01-6) is a useful research chemical.
Molecular Weight:	115.17
Molecular Formula:	C6H13NO
Canonical SMILES:	CN1CCCC1CO
InChI:	InChI=1S/C6H13NO/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3/t6-/m1/s1
InChI Key:	VCOJPHPOVDIRJK-ZCFIWIBFSA-N
Boiling Point:	164.8 °C at 760 mmHg
Density:	0.973 g/cm³
MDL:	MFCD07368622
LogP:	0.01080

Publication Number	Title	Priority Date
WO-2021109737-A1	Oxygen-containing heterocyclic compound, preparation method and application thereof	20191202
WO-2021106231-A1	A compound having inhibitory activity against kras g12d mutation	20191129
WO-2021107160-A1	A compound having inhibitory activity against kras g12d mutation	20191129
WO-2021037018-A1	Dihydroquinazoline or tetrahydroquinazoline compound and intermediates, preparation methods and use thereof	20190826
US-2020397760-A1	Methods of using rad51 inhibitors for treatment of pancreatic cancer	20190621

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	74.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	115.099714038
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	115.099714038
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1