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CAS 1201013-61-7 (3R)-1-(Propan-2-yl)pyrrolidin-3-amine dihydrochloride molecular structure lightbox
CAS RN: 1201013-61-7

(3R)-1-(Propan-2-yl)pyrrolidin-3-amine dihydrochloride

  • Product code: SSC-020888
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1201013-61-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry

1201013-61-7 / (3R)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride

1-(propan-2-yl)pyrrolidin-3-amine dihydrochloride | RefChem:428474 | 820-427-3

Standard CAS: 1201013-61-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1201013-61-7
Multi CAS
Yes
Molecular Formula
C7H18Cl2N2
Molecular Weight
201.130000
Exact Mass
200.084704
SMILES
CC(C)N1CC[C@H](C1)N.Cl.Cl
InChI
InChI=1S/C7H16N2.2ClH/c1-6(2)9-4-3-7(8)5-9;;/h6-7H,3-5,8H2,1-2H3;2*1H/t7-;;/m1../s1
InChIKey
VBJDQXDPLUEPER-XCUBXKJBSA-N
Synonyms
1-(propan-2-yl)pyrrolidin-3-amine dihydrochloride RefChem:428474 820-427-3 1-ISOPROPYL-PYRROLIDIN-3-YLAMINE DIHYDROCHLORIDE 1-isopropylpyrrolidin-3-amine dihydrochloride

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.8
TPSA
29.26

LogP / Solubility

WLOGP
1.27
MLOGP
1.12
XLogP3
1.27
Consensus LogP
1.22
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
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)
-3.04

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
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, 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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