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CAS 177911-87-4 2-(Aminomethyl)-1-N-Boc-pyrrolidine molecular structure lightbox
CAS RN: 177911-87-4

2-(Aminomethyl)-1-N-Boc-pyrrolidine

  • Product code: SSC-077786
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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: 1g, 5g, 10g, 0.25g, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 177911-87-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry
10g >95% 4 In Stock Hong Kong Inquiry
0.25g >95% 3 In Stock Shenzhen Inquiry
25g >95% 2 In Stock Shanghai Inquiry
100g >95% 0 Out of Stock Beijing Inquiry

177911-87-4 / tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate

Standard CAS: 177911-87-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
177911-87-4
Multi CAS
No
Molecular Formula
C10H20N2O2
Molecular Weight
200.280000
Exact Mass
200.152478
SMILES
CC(C)(C)OC(=O)N1CCCC1CN
InChI
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-7,11H2,1-3H3
InChIKey
SOGXYCNKQQJEED-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.02
TPSA
55.56

LogP / Solubility

WLOGP
1.34
MLOGP
1.18
XLogP3
0.7
Consensus LogP
1.07
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
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)
-2.99

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 Irritant
Signal
Danger
GHS Hazard Statements
H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (11.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501

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