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CAS 777055-55-7 4-(aminomethyl)-N-ethylbenzamide molecular structure lightbox
CAS RN: 777055-55-7

4-(aminomethyl)-N-ethylbenzamide

  • Product code: SSC-187229
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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: ≥96%
  • 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 777055-55-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥96% 0 Out of Stock Hong Kong Inquiry

777055-55-7 / 4-(aminomethyl)-N-ethylbenzamide

Standard CAS: 777055-55-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
777055-55-7
Multi CAS
No
Molecular Formula
C10H14N2O
Molecular Weight
178.230000
Exact Mass
178.110613
InChI
InChI=1S/C10H14N2O/c1-2-12-10(13)9-5-3-8(7-11)4-6-9/h3-6H,2,7,11H2,1H3,(H,12,13)
InChIKey
YUCCNGHVNHMOBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.34
TPSA
55.12

LogP / Solubility

WLOGP
0.9
MLOGP
0.78
XLogP3
0.8
Consensus LogP
0.83
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
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)
-3.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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