cis-1-Cbz-3-amino-4-(hydroxymethyl)pyrrolidine - CAS 252770-09-5
Catalog: |
BB018836 |
Product Name: |
cis-1-Cbz-3-amino-4-(hydroxymethyl)pyrrolidine |
CAS: |
252770-09-5 |
Synonyms: |
3-amino-4-(hydroxymethyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester; benzyl 3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate |
IUPAC Name: | benzyl (3S,4S)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate |
Description: | cis-1-Cbz-3-amino-4-(hydroxymethyl)pyrrolidine (CAS# 252770-09-5) is a useful research chemical. |
Molecular Weight: | 250.29 |
Molecular Formula: | C13H18N2O3 |
Canonical SMILES: | C1C(C(CN1C(=O)OCC2=CC=CC=C2)N)CO |
InChI: | InChI=1S/C13H18N2O3/c14-12-7-15(6-11(12)8-16)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,16H,6-9,14H2 |
InChI Key: | YXCPNFNWSNFFFZ-UHFFFAOYSA-N |
Boiling Point: | 414.3 °C at 760 mmHg |
Density: | 1.225 g/cm3 |
LogP: | 1.21280 |
Publication Number | Title | Priority Date |
US-2010144700-A1 | Heterocyclic-carbonyl-diazabicycloalkanes as modulators of the neuronal nicotinic acetylcholine alpha 4 beta 2, subtype receptor for the treatment of cns related disorders | 20070313 |
WO-2008112734-A1 | Heterocyclic-carbonyl-diazabicycloalkanes as modulators of the neuronal nicotinic acetylcholine alpha 4 beta 2, subtype receptor for the treatment of cns related disorders | 20070313 |
AU-2005275299-A1 | (1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane benzenesulfonate | 20040723 |
AU-2005275299-B2 | (1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane benzenesulfonate | 20040723 |
AU-2009202832-A1 | (1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane benzenesulfonate | 20040723 |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.13174244 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.13174244 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 75.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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