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CAS 6725-12-8 2-amino-N-[3-(dimethylamino)propyl]benzamide molecular structure lightbox
CAS RN: 6725-12-8

2-amino-N-[3-(dimethylamino)propyl]benzamide

  • Product code: SSC-176936
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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 6725-12-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

6725-12-8 / 2-amino-N-[3-(dimethylamino)propyl]benzamide

Standard CAS: 6725-12-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6725-12-8
Multi CAS
No
Molecular Formula
C12H19N3O
Molecular Weight
221.300000
Exact Mass
221.152812
InChI
InChI=1S/C12H19N3O/c1-15(2)9-5-8-14-12(16)10-6-3-4-7-11(10)13/h3-4,6-7H,5,8-9,13H2,1-2H3,(H,14,16)
InChIKey
HIVRPVGZEWAITM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
66.36
TPSA
58.36

LogP / Solubility

WLOGP
0.95
MLOGP
0.84
XLogP3
1.2
Consensus LogP
1
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-3.4

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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