2-(Aminomethyl)-1-Cbz-pyrrolidine - CAS 119020-03-0
Catalog: |
BB004368 |
Product Name: |
2-(Aminomethyl)-1-Cbz-pyrrolidine |
CAS: |
119020-03-0 |
Synonyms: |
2-(aminomethyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester; benzyl 2-(aminomethyl)pyrrolidine-1-carboxylate |
IUPAC Name: | benzyl 2-(aminomethyl)pyrrolidine-1-carboxylate |
Description: | 2-(Aminomethyl)-1-Cbz-pyrrolidine (CAS# 119020-03-0) is a useful research chemical. |
Molecular Weight: | 234.29 |
Molecular Formula: | C13H18N2O2 |
Canonical SMILES: | C1CC(N(C1)C(=O)OCC2=CC=CC=C2)CN |
InChI: | InChI=1S/C13H18N2O2/c14-9-12-7-4-8-15(12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2 |
InChI Key: | NQGRCKNDDGCZPV-UHFFFAOYSA-N |
Boiling Point: | 370.5 °C at 760 mmHg |
Density: | 1.155 g/cm3 |
LogP: | 2.38450 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-0421441-A2 | Pantothenic acid derivatives | 19891006 |
EP-0421441-B1 | Pantothenic acid derivatives | 19891006 |
US-5120738-A | Pantothenic acid derivatives | 19891006 |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.136827821 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.136827821 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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