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CAS 10494-82-3 2-amino-n-butyl-benzamide molecular structure lightbox
CAS RN: 10494-82-3

2-amino-n-butyl-benzamide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250127 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-006676
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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 10494-82-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

10494-82-3 / 2-amino-N-butylbenzamide

2-amino-N-butylbenzamide | DTXSID80293251 | RefChem:255962

Standard CAS: 10494-82-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10494-82-3
Multi CAS
Yes
Molecular Formula
C11H16N2O
Molecular Weight
192.260000
Exact Mass
192.126263
SMILES
CCCCNC(=O)C1=CC=CC=C1N
InChI
InChI=1S/C11H16N2O/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12/h4-7H,2-3,8,12H2,1H3,(H,13,14)
InChIKey
MXZDMUOYQBHOCH-UHFFFAOYSA-N
Synonyms
2-amino-N-butylbenzamide DTXSID80293251 RefChem:255962 DTXCID50244391 2-Amino-N-butyl-benzamide

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.1
TPSA
55.12

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
1.8
Consensus LogP
1.73
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.62

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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