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CAS 1185303-65-4 (4-CHLOROBENZYL)HYDRAZINE DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 1185303-65-4

(4-CHLOROBENZYL)HYDRAZINE DIHYDROCHLORIDE

  • Product code: SSC-018372
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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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 1185303-65-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1185303-65-4 / (4-chlorophenyl)methylhydrazine;dihydrochloride

(4-chlorobenzyl)hydrazine dihydrochloride | [(4-chlorophenyl)methyl]hydrazine dihydrochloride | MFCD06800401

Standard CAS: 1185303-65-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1185303-65-4
Multi CAS
Yes
Molecular Formula
C7H11Cl3N2
Molecular Weight
229.500000
Exact Mass
227.998781
SMILES
C1=CC(=CC=C1CNN)Cl.Cl.Cl
InChI
InChI=1S/C7H9ClN2.2ClH/c8-7-3-1-6(2-4-7)5-10-9;;/h1-4,10H,5,9H2;2*1H
InChIKey
UQORAWUVXYYPLS-UHFFFAOYSA-N
Synonyms
(4-chlorobenzyl)hydrazine dihydrochloride [(4-chlorophenyl)methyl]hydrazine dihydrochloride MFCD06800401 (4-chlorobenzyl)hydrazine 2HCL 4-chlorobenzylhydrazine dihydrochloride

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
56.98
TPSA
38.05

LogP / Solubility

WLOGP
2.15
MLOGP
1.89
XLogP3
2.15
Consensus LogP
2.06
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.17
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6

Drug-likeness / Medicinal Chemistry

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

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