AG00IICK

945723-36-4 | (trans-4-Methylpyrrolidin-3-yl)methanol

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CAS Number	945723-36-4
Catalog Number	AG00IICK(AGN-PC-0ONWY6)
Chemical Name	(trans-4-Methylpyrrolidin-3-yl)methanol
IUPAC Name	[(3R,4R)-4-methylpyrrolidin-3-yl]methanol
InChI	InChI=1S/C6H13NO/c1-5-2-7-3-6(5)4-8/h5-8H,2-4H2,1H3/t5-,6+/m0/s1
InChI Key	YOUDCFZQKXTNCC-NTSWFWBYSA-N
MDL Number	MFCD14708210
Molecular Formula	C6H13NO
Molecular Weight	115.1735
SMILES	C[C@H]1CNC[C@@H]1CO
Synonyms	(trans-4-methylpyrrolidin-3-yl)methanol, 945723-36-4, ((3R,4R)-4-methylpyrrolidin-3-yl)methanol, 942618-25-9, [(3R,4R)-4-methylpyrrolidin-3-yl]methanol, AK-43373, SCHEMBL1190542, DTXSID20676524, ANW-66501, FCH880326, MFCD10001415, ZINC66339078, AKOS006304754, AKOS015840037, MP-1994, BC244806, DS-14128, AJ-116188, AX8210859, AX8329102, TC-155246, 3-Pyrrolidinemethanol,4-methyl-,(3R,4R)-, ST24026681, Z5382, ((3R,4R)-(4-Methylpyrrolidin-3-yl))methanol, I11-0310, C6H13NO, ACN-030262, [trans-4-methylpyrrolidin-3-yl]methanol, [(3r,4r)-4-methyl-3-pyrrolidinyl]methanol,

Complexity	74.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	115.1g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	115.176g/mol
Monoisotopic Mass	115.1g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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