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CAS 1501-98-0 1-(1-ADAMANTYL)METHANAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1501-98-0

1-(1-ADAMANTYL)METHANAMINE HYDROCHLORIDE

  • Product code: SSC-060073
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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 1501-98-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1501-98-0 / 1-adamantylmethanamine;hydrochloride

Standard CAS: 1501-98-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1501-98-0
Multi CAS
No
Molecular Formula
C11H20ClN
Molecular Weight
201.730000
Exact Mass
201.128427
SMILES
C1C2CC3CC1CC(C2)(C3)CN.Cl
InChI
InChI=1S/C11H19N.ClH/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11;/h8-10H,1-7,12H2;1H
InChIKey
SCNHINHHYKFASL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.91
TPSA
26.02

LogP / Solubility

WLOGP
2.58
MLOGP
2.27
XLogP3
2.58
Consensus LogP
2.48
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly 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)
-2.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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