[email protected]
CAS 1199773-80-2 Pyrrolidine-2-carbonitrile hydrochloride molecular structure lightbox
CAS RN: 1199773-80-2

Pyrrolidine-2-carbonitrile hydrochloride

  • Product code: SSC-020736
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1199773-80-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

1199773-80-2 / pyrrolidine-2-carbonitrile;hydrochloride

pyrrolidine-2-carbonitrile hydrochloride | pyrrolidine-2-carbonitrile;hydrochloride | 2-Cyanopyrrolidine hydrochloride

Standard CAS: 1199773-80-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1199773-80-2
Multi CAS
No
Molecular Formula
C5H9ClN2
Molecular Weight
132.590000
Exact Mass
132.045426
SMILES
C1CC(NC1)C#N.Cl
InChI
InChI=1S/C5H8N2.ClH/c6-4-5-2-1-3-7-5;/h5,7H,1-3H2;1H
InChIKey
QSJTUXCBPTVKQZ-UHFFFAOYSA-N
Synonyms
pyrrolidine-2-carbonitrile hydrochloride pyrrolidine-2-carbonitrile;hydrochloride 2-Cyanopyrrolidine hydrochloride 2-pyrrolidinecarbonitrile hydrochloride 2-Pyrrolidinecarbonitrile Hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.89
TPSA
35.82

LogP / Solubility

WLOGP
0.68
MLOGP
0.59
XLogP3
0.68
Consensus LogP
0.65
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.09
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us