CAS RN: 1205750-61-3
3-methylpyrrolidine-3-carbonitrile hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250125 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-021605
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, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 1 In Stock | Shanghai | Inquiry |
| 5g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 1 In Stock | Shanghai | Inquiry |
1205750-61-3 / 3-methylpyrrolidine-3-carbonitrile;hydrochloride
3-methylpyrrolidine-3-carbonitrile hydrochloride | RefChem:504345 | 868-848-1
Basic Information
CAS
1205750-61-3
Multi CAS
Yes
Molecular Formula
C6H11ClN2
Molecular Weight
146.620000
Exact Mass
146.061076
SMILES
CC1(CCNC1)C#N.Cl
InChI
InChI=1S/C6H10N2.ClH/c1-6(4-7)2-3-8-5-6;/h8H,2-3,5H2,1H3;1H
InChIKey
JCZTVYVXESIUGM-UHFFFAOYSA-N
Synonyms
3-methylpyrrolidine-3-carbonitrile hydrochloride
RefChem:504345
868-848-1
3-Cyano-3-methylpyrrolidine hydrochloride
3-methylpyrrolidine-3-carbonitrile;hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.45
TPSA
35.82
LogP / Solubility
WLOGP
0.93
MLOGP
0.81
XLogP3
0.93
Consensus LogP
0.89
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
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)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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![CAS 1206102-11-5 (4R,12aS)-N-(2,4-difluorobenzyl)-7-benzylhydroxy-4-Methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1206102-11-5.gif)