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CAS 1152110-75-2 (3R)-N,N-dimethylpiperidin-3-amine,hydrochloride molecular structure lightbox
CAS RN: 1152110-75-2

(3R)-N,N-dimethylpiperidin-3-amine,hydrochloride

  • Product code: SSC-014894
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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 1152110-75-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1152110-75-2 / (3R)-N,N-dimethylpiperidin-3-amine;dihydrochloride

(R)-N,N-dimethylpiperidin-3-amine hydrochloride | MFCD20687657 | (3R)-N,N-dimethylpiperidin-3-amine;hydrochloride

Standard CAS: 1152110-75-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1152110-75-2
Multi CAS
Yes
Molecular Formula
C7H18Cl2N2
Molecular Weight
201.130000
Exact Mass
200.084704
SMILES
CN(C)[C@@H]1CCCNC1.Cl.Cl
InChI
InChI=1S/C7H16N2.2ClH/c1-9(2)7-4-3-5-8-6-7;;/h7-8H,3-6H2,1-2H3;2*1H/t7-;;/m1../s1
InChIKey
DCCNBWACOPXKMO-XCUBXKJBSA-N
Synonyms
(R)-N,N-dimethylpiperidin-3-amine hydrochloride MFCD20687657 (3R)-N,N-dimethylpiperidin-3-amine;hydrochloride Dimethyl-(R)-piperidin-3-yl-amine hydrochloride (R)-N,N-Dimethylpiperidin-3-amine HCl

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.07
TPSA
15.27

LogP / Solubility

WLOGP
1.14
MLOGP
1.01
XLogP3
1.14
Consensus LogP
1.1
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately 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)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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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