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CAS 1179361-55-7 2-(Cbz-AMINOMETHYL)PYRROLIDINE-HCl molecular structure lightbox
CAS RN: 1179361-55-7

2-(Cbz-AMINOMETHYL)PYRROLIDINE-HCl

  • Product code: SSC-017780
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1179361-55-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

1179361-55-7 / benzyl N-(pyrrolidin-2-ylmethyl)carbamate;hydrochloride

2-(Cbz-Aminomethyl)pyrrolidine hydrochloride | benzyl N-(pyrrolidin-2-ylmethyl)carbamate;hydrochloride | Benzyl (pyrrolidin-2-ylmethyl)carbamate hydrochloride

Standard CAS: 1179361-55-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1179361-55-7
Multi CAS
Yes
Molecular Formula
C13H19ClN2O2
Molecular Weight
270.750000
Exact Mass
270.113506
SMILES
C1CC(NC1)CNC(=O)OCC2=CC=CC=C2.Cl
InChI
InChI=1S/C13H18N2O2.ClH/c16-13(15-9-12-7-4-8-14-12)17-10-11-5-2-1-3-6-11;/h1-3,5-6,12,14H,4,7-10H2,(H,15,16);1H
InChIKey
AEFMEOUFLZOLHQ-UHFFFAOYSA-N
Synonyms
2-(Cbz-Aminomethyl)pyrrolidine hydrochloride benzyl N-(pyrrolidin-2-ylmethyl)carbamate;hydrochloride Benzyl (pyrrolidin-2-ylmethyl)carbamate hydrochloride N-CBZ-1-(PYRROLIDIN-2-YL)METHANAMINE HYDROCHLORIDE 2-(Cbz-AMINOMETHYL)PYRROLIDINE-HCl

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
72.9
TPSA
50.36

LogP / Solubility

WLOGP
2.09
MLOGP
1.84
XLogP3
2.09
Consensus LogP
2.01
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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