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CAS 116183-81-4 (3R)-(-)-3-Aminopyrrolidine Dihydrochloride molecular structure lightbox
CAS RN: 116183-81-4

(3R)-(-)-3-Aminopyrrolidine Dihydrochloride

  • Product code: SSC-016299
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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: 10g
  • Available purity: ＞97%
  • 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 116183-81-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry

116183-81-4 / (3R)-pyrrolidin-3-amine;dihydrochloride

(3R)-(-)-3-Aminopyrrolidine Dihydrochloride | 3-Pyrrolidinamine, hydrochloride (1:2), (3R)- | RefChem:400727

Standard CAS: 116183-81-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
116183-81-4
Multi CAS
Yes
Molecular Formula
C4H12Cl2N2
Molecular Weight
159.050000
Exact Mass
158.037754
SMILES
C1CNC[C@@H]1N.Cl.Cl
InChI
InChI=1S/C4H10N2.2ClH/c5-4-1-2-6-3-4;;/h4,6H,1-3,5H2;2*1H/t4-;;/m1../s1
InChIKey
NJPNCMOUEXEGBL-RZFWHQLPSA-N
Synonyms
(3R)-(-)-3-Aminopyrrolidine Dihydrochloride 3-Pyrrolidinamine, hydrochloride (1:2), (3R)- RefChem:400727 634-214-6 (R)-pyrrolidin-3-amine dihydrochloride

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.96
TPSA
38.05

LogP / Solubility

WLOGP
0.15
MLOGP
0.13
XLogP3
0.15
Consensus LogP
0.14
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
Class (SILICOS-IT)
Very 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)
-3.58

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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