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CAS 1008136-15-9 3-(3-Methyl-3H-diazirin-3-yl)propan-1-amine molecular structure lightbox
CAS RN: 1008136-15-9

3-(3-Methyl-3H-diazirin-3-yl)propan-1-amine

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250409 50mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-001545
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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: 0.25g
  • 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 1008136-15-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1008136-15-9 / 3-(3-methyldiazirin-3-yl)propan-1-amine

3-(3-Methyl-3H-diazirin-3-yl)propan-1-amine | 3-(3-methyldiazirin-3-yl)propan-1-amine | SCHEMBL18083181

Standard CAS: 1008136-15-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1008136-15-9
Multi CAS
No
Molecular Formula
C5H11N3
Molecular Weight
113.160000
Exact Mass
113.095297
SMILES
CC1(N=N1)CCCN
InChI
InChI=1S/C5H11N3/c1-5(7-8-5)3-2-4-6/h2-4,6H2,1H3
InChIKey
NMWJNUYCZYGPMO-UHFFFAOYSA-N
Synonyms
3-(3-Methyl-3H-diazirin-3-yl)propan-1-amine 3-(3-methyldiazirin-3-yl)propan-1-amine SCHEMBL18083181 MFCD19215302 AKOS006348782

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
31.55
TPSA
50.74

LogP / Solubility

WLOGP
0.91
MLOGP
0.79
XLogP3
0.3
Consensus LogP
0.67
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
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)
-2.77

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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