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CAS 1004538-34-4 (R)-tert-butyl 3-aminopyrrolidine-1-carboxylate hydrochloride molecular structure lightbox
CAS RN: 1004538-34-4

(R)-tert-butyl 3-aminopyrrolidine-1-carboxylate hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260217 1g / 5g / 10g / 50g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-001032
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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: ≥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 1004538-34-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

1004538-34-4 / tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;hydrochloride

tert-butyl 3-aminopyrrolidine-1-carboxylate hydrochloride | tert-butyl 3-aminopyrrolidine-1-carboxylate;hydrochloride | 1-Boc-3-amino-pyrrolidine hydrochloride

Standard CAS: 1004538-34-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1004538-34-4
Multi CAS
Yes
Molecular Formula
C9H19ClN2O2
Molecular Weight
222.710000
Exact Mass
222.113506
SMILES
CC(C)(C)OC(=O)N1CC[C@H](C1)N.Cl
InChI
InChI=1S/C9H18N2O2.ClH/c1-9(2,3)13-8(12)11-5-4-7(10)6-11;/h7H,4-6,10H2,1-3H3;1H/t7-;/m1./s1
InChIKey
NBQHLWCRRNDFIY-OGFXRTJISA-N
Synonyms
tert-butyl 3-aminopyrrolidine-1-carboxylate hydrochloride tert-butyl 3-aminopyrrolidine-1-carboxylate;hydrochloride 1-Boc-3-amino-pyrrolidine hydrochloride SCHEMBL861053 TERT-BUTYL (3S)-3-AMINOPYRROLIDINE-1-CARBOXYLATE HYDROCHLORIDE

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.65
TPSA
55.56

LogP / Solubility

WLOGP
1.38
MLOGP
1.21
XLogP3
1.38
Consensus LogP
1.32
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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)
-3.1

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)
Corrosive Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501

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