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CAS 1484-85-1 HOMOPIPERONYLAMINE molecular structure lightbox
CAS RN: 1484-85-1

HOMOPIPERONYLAMINE

  • Product code: SSC-058725
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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: >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 1484-85-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry

1484-85-1 / 2-(1,3-benzodioxol-5-yl)ethanamine

Standard CAS: 1484-85-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1484-85-1
Multi CAS
No
Molecular Formula
C9H11NO2
Molecular Weight
165.190000
Exact Mass
165.078979
SMILES
C1OC2=C(O1)C=C(C=C2)CCN
InChI
InChI=1S/C9H11NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3-4,6,10H2
InChIKey
RRIRDPSOCUCGBV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.32
TPSA
44.48

LogP / Solubility

WLOGP
0.92
MLOGP
0.8
XLogP3
1.2
Consensus LogP
0.97
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
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)
-3.08

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 Irritant
Signal
Danger
GHS Hazard Statements
H314 (20%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (60%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (40%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (60%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 P264+P265, P280, P305+P354+P338, and P317

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