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CAS 1857-18-7 N~1~,N~1~-dimethyl-beta-alaninamide(SALTDATA: HCl) molecular structure lightbox
CAS RN: 1857-18-7

N~1~,N~1~-dimethyl-beta-alaninamide(SALTDATA: HCl)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250802 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-085977
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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 1857-18-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1857-18-7 / 3-amino-N,N-dimethylpropanamide

Standard CAS: 1857-18-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1857-18-7
Multi CAS
No
Molecular Formula
C5H12N2O
Molecular Weight
116.160000
Exact Mass
116.094963
SMILES
CN(C)C(=O)CCN
InChI
InChI=1S/C5H12N2O/c1-7(2)5(8)3-4-6/h3-4,6H2,1-2H3
InChIKey
JNDIDJUNNCBHTI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.37
TPSA
46.33

LogP / Solubility

WLOGP
-0.58
MLOGP
-0.52
XLogP3
-1.3
Consensus LogP
-0.8
Log S (ESOL)
-0.06
Class (ESOL)
Very soluble
Log S (Ali)
-0.1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.18
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.84

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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