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CAS 1188263-72-0 3-(Boc-aMino)pyrrolidine Hydrochloride molecular structure lightbox
CAS RN: 1188263-72-0

3-(Boc-aMino)pyrrolidine Hydrochloride

  • Product code: SSC-019034
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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, 5g, 10g, 25g
  • 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 1188263-72-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry

1188263-72-0 / tert-butyl N-pyrrolidin-3-ylcarbamate;hydrochloride

3-(Boc-amino)pyrrolidine Hydrochloride | tert-Butyl pyrrolidin-3-ylcarbamate hydrochloride | 3-BOC-AMINO PYRROLIDINE-HCl

Standard CAS: 1188263-72-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1188263-72-0
Multi CAS
Yes
Molecular Formula
C9H19ClN2O2
Molecular Weight
222.710000
Exact Mass
222.113506
SMILES
CC(C)(C)OC(=O)NC1CCNC1.Cl
InChI
InChI=1S/C9H18N2O2.ClH/c1-9(2,3)13-8(12)11-7-4-5-10-6-7;/h7,10H,4-6H2,1-3H3,(H,11,12);1H
InChIKey
UYIZWZJKNFDMPB-UHFFFAOYSA-N
Synonyms
3-(Boc-amino)pyrrolidine Hydrochloride tert-Butyl pyrrolidin-3-ylcarbamate hydrochloride 3-BOC-AMINO PYRROLIDINE-HCl MFCD11101358 TERT-BUTYL N-(PYRROLIDIN-3-YL)CARBAMATE HYDROCHLORIDE

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.89
TPSA
50.36

LogP / Solubility

WLOGP
1.29
MLOGP
1.14
XLogP3
1.29
Consensus LogP
1.24
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-3.16

Drug-likeness / Medicinal Chemistry

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

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