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CAS 104033-62-7 (4-ISOPROPOXY-PHENYL)-HYDRAZINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 104033-62-7

(4-ISOPROPOXY-PHENYL)-HYDRAZINE HYDROCHLORIDE

  • Product code: SSC-005802
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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: 1g
  • 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 104033-62-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

104033-62-7 / (4-propan-2-yloxyphenyl)hydrazine;hydrochloride

(4-Isopropoxyphenyl)hydrazine hydrochloride | (4-ISOPROPOXY-PHENYL)-HYDRAZINE HYDROCHLORIDE | MFCD06738787

Standard CAS: 104033-62-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
104033-62-7
Multi CAS
Yes
Molecular Formula
C9H15ClN2O
Molecular Weight
202.680000
Exact Mass
202.087291
SMILES
CC(C)OC1=CC=C(C=C1)NN.Cl
InChI
InChI=1S/C9H14N2O.ClH/c1-7(2)12-9-5-3-8(11-10)4-6-9;/h3-7,11H,10H2,1-2H3;1H
InChIKey
JGKJCMSHDQWJAH-UHFFFAOYSA-N
Synonyms
(4-Isopropoxyphenyl)hydrazine hydrochloride (4-ISOPROPOXY-PHENYL)-HYDRAZINE HYDROCHLORIDE MFCD06738787 (4-propan-2-yloxyphenyl)hydrazine;hydrochloride (4-propan-2-yloxyphenyl)hydrazine hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.26
TPSA
47.28

LogP / Solubility

WLOGP
2.18
MLOGP
1.92
XLogP3
2.18
Consensus LogP
2.09
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
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)
-2.41

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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