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CAS 109467-00-7 2-Amino-5-methylbenzaldehyde molecular structure lightbox
CAS RN: 109467-00-7

2-Amino-5-methylbenzaldehyde

  • Product code: SSC-010852
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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 109467-00-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

109467-00-7 / 2-amino-5-methylbenzaldehyde

2-AMINO-5-METHYLBENZALDEHYDE | DTXSID40551920 | RefChem:255735

Standard CAS: 109467-00-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
109467-00-7
Multi CAS
No
Molecular Formula
C8H9NO
Molecular Weight
135.160000
Exact Mass
135.068414
SMILES
CC1=CC(=C(C=C1)N)C=O
InChI
InChI=1S/C8H9NO/c1-6-2-3-8(9)7(4-6)5-10/h2-5H,9H2,1H3
InChIKey
WUTVUNYCKGJXHV-UHFFFAOYSA-N
Synonyms
2-AMINO-5-METHYLBENZALDEHYDE DTXSID40551920 RefChem:255735 DTXCID70502703 2-amino-5-methyl-benzaldehyde

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.98
TPSA
43.09

LogP / Solubility

WLOGP
1.39
MLOGP
1.22
XLogP3
1.3
Consensus LogP
1.3
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-2.56

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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