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74807-89-9 | Pyrrolidine, 2-(methoxymethyl)-1-[(2-propynylimino)methyl]-, (S)-
CAS No: 74807-89-9 Catalog No: AG005GY4 MDL No:
Product Description
Catalog Number:
AG005GY4
Chemical Name:
Pyrrolidine, 2-(methoxymethyl)-1-[(2-propynylimino)methyl]-, (S)-
CAS Number:
74807-89-9
Molecular Formula:
C10H16N2O
Molecular Weight:
180.2468
IUPAC Name:
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-prop-2-ynylmethanimine
InChI:
InChI=1S/C10H16N2O/c1-3-6-11-9-12-7-4-5-10(12)8-13-2/h1,9-10H,4-8H2,2H3/t10-/m0/s1
InChI Key:
JKXBLYHSBGEMQB-JTQLQIEISA-N
SMILES:
COC[C@@H]1CCCN1C=NCC#C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
180.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.251g/mol
Monoisotopic Mass:
180.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
24.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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