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CAS 1085453-44-6 (4-Methylbenzyl)hydrazine dihydrochloride molecular structure lightbox
CAS RN: 1085453-44-6

(4-Methylbenzyl)hydrazine dihydrochloride

  • Product code: SSC-009817
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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 1085453-44-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1085453-44-6 / (4-methylphenyl)methylhydrazine;dihydrochloride

(4-methylbenzyl)hydrazine dihydrochloride | MFCD06800973 | (4-Methylbenzyl)hydrazine 2HCl

Standard CAS: 1085453-44-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1085453-44-6
Multi CAS
No
Molecular Formula
C8H14Cl2N2
Molecular Weight
209.110000
Exact Mass
208.053404
SMILES
CC1=CC=C(C=C1)CNN.Cl.Cl
InChI
InChI=1S/C8H12N2.2ClH/c1-7-2-4-8(5-3-7)6-10-9;;/h2-5,10H,6,9H2,1H3;2*1H
InChIKey
LASAOSVLPBEFEB-UHFFFAOYSA-N
Synonyms
(4-methylbenzyl)hydrazine dihydrochloride MFCD06800973 (4-Methylbenzyl)hydrazine 2HCl (4-methylphenyl)methylhydrazine;dihydrochloride [(4-methylphenyl)methyl]hydrazine dihydrochloride

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
56.7
TPSA
38.05

LogP / Solubility

WLOGP
1.8
MLOGP
1.59
XLogP3
1.8
Consensus LogP
1.73
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately 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)
-2.72

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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