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CAS 227958-97-6 2-CHLORO-4-METHYLPHENYLHYDRAZINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 227958-97-6

2-CHLORO-4-METHYLPHENYLHYDRAZINE HYDROCHLORIDE

  • Product code: SSC-110994
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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: 1g, 5g, 10g, 0.1g, 0.25g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 227958-97-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
10g >97% 5 In Stock Beijing Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
25g >97% 1 In Stock Shenzhen Inquiry
100g >97% 0 Out of Stock Shenzhen Inquiry

227958-97-6 / (2-chloro-4-methylanilino)azanium chloride

Standard CAS: 227958-97-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
227958-97-6
Multi CAS
No
Molecular Formula
C7H10Cl2N2
Molecular Weight
193.070000
Exact Mass
192.022104
SMILES
CC1=CC(=C(C=C1)N[NH3+])Cl.[Cl-]
InChI
InChI=1S/C7H9ClN2.ClH/c1-5-2-3-7(10-9)6(8)4-5;/h2-4,10H,9H2,1H3;1H
InChIKey
JCSUBZJLENMKRH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
42.7
TPSA
39.67

LogP / Solubility

WLOGP
-1.78
MLOGP
-1.57
XLogP3
-1.78
Consensus LogP
-1.71
Log S (ESOL)
-0.25
Class (ESOL)
Very soluble
Log S (Ali)
0.14
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.44
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.16

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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