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CAS 1188264-02-9 1-Boc-Amino-3-methylaminopropane hydrochloride molecular structure lightbox
CAS RN: 1188264-02-9

1-Boc-Amino-3-methylaminopropane hydrochloride

  • Product code: SSC-019035
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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: 5g, 10g, 0.1g, 0.25g, 1g
  • 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 1188264-02-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 4 In Stock Shanghai Inquiry
10g >95% 3 In Stock Shanghai Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Shenzhen Inquiry

1188264-02-9 / tert-butyl N-[3-(methylamino)propyl]carbamate;hydrochloride

1-(Boc-amino)-3-(methylamino)propane Hydrochloride | MFCD11101326 | tert-Butyl (3-(methylamino)propyl)carbamate hydrochloride

Standard CAS: 1188264-02-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1188264-02-9
Multi CAS
Yes
Molecular Formula
C9H21ClN2O2
Molecular Weight
224.730000
Exact Mass
224.129156
SMILES
CC(C)(C)OC(=O)NCCCNC.Cl
InChI
InChI=1S/C9H20N2O2.ClH/c1-9(2,3)13-8(12)11-7-5-6-10-4;/h10H,5-7H2,1-4H3,(H,11,12);1H
InChIKey
KKHKFPWJJYTAGE-UHFFFAOYSA-N
Synonyms
1-(Boc-amino)-3-(methylamino)propane Hydrochloride MFCD11101326 tert-Butyl (3-(methylamino)propyl)carbamate hydrochloride tert-butyl N-[3-(methylamino)propyl]carbamate;hydrochloride 1-Boc-Amino-3-methylaminopropane hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.03
TPSA
50.36

LogP / Solubility

WLOGP
1.54
MLOGP
1.36
XLogP3
1.54
Consensus LogP
1.48
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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