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CAS 106658-14-4 4-Methoxybenzene-1,2-diaMine hydrochloride molecular structure lightbox
CAS RN: 106658-14-4

4-Methoxybenzene-1,2-diaMine hydrochloride

  • Product code: SSC-008223
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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 106658-14-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

106658-14-4 / 4-methoxybenzene-1,2-diamine;hydrochloride

4-Methoxybenzene-1,2-diamine hydrochloride | MFCD00012968 | 4-methoxy-o-phenylenediamine hydrochloride

Standard CAS: 106658-14-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
106658-14-4
Multi CAS
No
Molecular Formula
C7H11ClN2O
Molecular Weight
174.630000
Exact Mass
174.055991
SMILES
COC1=CC(=C(C=C1)N)N.Cl
InChI
InChI=1S/C7H10N2O.ClH/c1-10-5-2-3-6(8)7(9)4-5;/h2-4H,8-9H2,1H3;1H
InChIKey
UDVLWGZLJFQYGP-UHFFFAOYSA-N
Synonyms
4-Methoxybenzene-1,2-diamine hydrochloride MFCD00012968 4-methoxy-o-phenylenediamine hydrochloride 4-methoxybenzene-1,2-diamine;hydrochloride NSC-62971

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.07
TPSA
61.27

LogP / Solubility

WLOGP
1.28
MLOGP
1.12
XLogP3
1.28
Consensus LogP
1.23
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
Class (SILICOS-IT)
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)
-2.88

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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