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CAS 5813-64-9 Neopentylamine molecular structure lightbox
CAS RN: 5813-64-9

Neopentylamine

  • Product code: SSC-166363
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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, 10g, 25g, 100g
  • Available purity: >97%
  • 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 5813-64-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Beijing Inquiry
100g >97% 0 Out of Stock Shenzhen Inquiry

5813-64-9 / 2,2-dimethylpropan-1-amine

Standard CAS: 5813-64-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5813-64-9
Multi CAS
Yes
Molecular Formula
C5H13N
Molecular Weight
87.160000
Exact Mass
87.104799
InChI
InChI=1S/C5H13N/c1-5(2,3)4-6/h4,6H2,1-3H3
InChIKey
XDIAMRVROCPPBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
28.51
TPSA
26.02

LogP / Solubility

WLOGP
0.99
MLOGP
0.86
XLogP3
1
Consensus LogP
0.95
Log S (ESOL)
-1
Class (ESOL)
Soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.05
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)
-2.55

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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