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CAS 1185006-80-7 (2-NAPHTHYLMETHYL)HYDRAZINE DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 1185006-80-7

(2-NAPHTHYLMETHYL)HYDRAZINE DIHYDROCHLORIDE

  • Product code: SSC-018299
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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 1185006-80-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1185006-80-7 / naphthalen-2-ylmethylhydrazine;dihydrochloride

(2-naphthylmethyl)hydrazine dihydrochloride | (naphthalen-2-ylmethyl)hydrazine dihydrochloride | (2-Naphthylmethyl)hydrazinedihydrochloride

Standard CAS: 1185006-80-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1185006-80-7
Multi CAS
No
Molecular Formula
C11H14Cl2N2
Molecular Weight
245.140000
Exact Mass
244.053404
SMILES
C1=CC=C2C=C(C=CC2=C1)CNN.Cl.Cl
InChI
InChI=1S/C11H12N2.2ClH/c12-13-8-9-5-6-10-3-1-2-4-11(10)7-9;;/h1-7,13H,8,12H2;2*1H
InChIKey
PRJLBNCPFPMRFO-UHFFFAOYSA-N
Synonyms
(2-naphthylmethyl)hydrazine dihydrochloride (naphthalen-2-ylmethyl)hydrazine dihydrochloride (2-Naphthylmethyl)hydrazinedihydrochloride MFCD06801129 naphthalen-2-ylmethylhydrazine;dihydrochloride

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
69.47
TPSA
38.05

LogP / Solubility

WLOGP
2.65
MLOGP
2.33
XLogP3
2.65
Consensus LogP
2.54
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34

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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