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CAS 15995-42-3 2-(AMINOMETHYL)-2-METHYL-1 3-PROPANE- molecular structure lightbox
CAS RN: 15995-42-3

2-(AMINOMETHYL)-2-METHYL-1 3-PROPANE-

  • Product code: SSC-067943
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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 15995-42-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

15995-42-3 / 2-(aminomethyl)-2-methylpropane-1,3-diamine

Standard CAS: 15995-42-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15995-42-3
Multi CAS
No
Molecular Formula
C5H15N3
Molecular Weight
117.190000
Exact Mass
117.126597
SMILES
CC(CN)(CN)CN
InChI
InChI=1S/C5H15N3/c1-5(2-6,3-7)4-8/h2-4,6-8H2,1H3
InChIKey
UGDSCHVVUPHIFM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
35.27
TPSA
78.06

LogP / Solubility

WLOGP
-1.13
MLOGP
-1.01
XLogP3
-1.9
Consensus LogP
-1.35
Log S (ESOL)
0.34
Class (ESOL)
Highly soluble
Log S (Ali)
0.3
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.16
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.24

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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