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CAS 25808-30-4 Methylaminoacetonitrile hydrochloride molecular structure lightbox
CAS RN: 25808-30-4

Methylaminoacetonitrile hydrochloride

  • Product code: SSC-122391
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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: 5g, 10g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 1
  • 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 25808-30-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Beijing Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry

25808-30-4 / 2-(methylamino)acetonitrile;hydrochloride

Standard CAS: 25808-30-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25808-30-4
Multi CAS
No
Molecular Formula
C3H7ClN2
Molecular Weight
106.550000
Exact Mass
106.029776
SMILES
CNCC#N.Cl
InChI
InChI=1S/C3H6N2.ClH/c1-5-3-2-4;/h5H,3H2,1H3;1H
InChIKey
DFKBQHBEROHUNF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
26.79
TPSA
35.82

LogP / Solubility

WLOGP
0.15
MLOGP
0.12
XLogP3
0.15
Consensus LogP
0.14
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.6
Class (SILICOS-IT)
Very 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)
-3.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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