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CAS 1176419-88-7 2-METHYLAMINO-1-PYRROLIDIN-1-YL-ETHANONE HCL molecular structure lightbox
CAS RN: 1176419-88-7

2-METHYLAMINO-1-PYRROLIDIN-1-YL-ETHANONE HCL

  • Product code: SSC-017498
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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: 5g
  • 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 1176419-88-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1176419-88-7 / 2-(methylamino)-1-pyrrolidin-1-ylethanone;hydrochloride

DTXSID40660041 | 2-(Methylamino)-1-(pyrrolidin-1-yl)ethan-1-one--hydrogen chloride (1/1) | RefChem:254286

Standard CAS: 1176419-88-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1176419-88-7
Multi CAS
No
Molecular Formula
C7H15ClN2O
Molecular Weight
178.660000
Exact Mass
178.087291
SMILES
CNCC(=O)N1CCCC1.Cl
InChI
InChI=1S/C7H14N2O.ClH/c1-8-6-7(10)9-4-2-3-5-9;/h8H,2-6H2,1H3;1H
InChIKey
BOHWBCXULARPPK-UHFFFAOYSA-N
Synonyms
DTXSID40660041 2-(Methylamino)-1-(pyrrolidin-1-yl)ethan-1-one--hydrogen chloride (1/1) RefChem:254286 DTXCID10610790 MFCD08060488

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.99
TPSA
32.34

LogP / Solubility

WLOGP
0.25
MLOGP
0.22
XLogP3
0.25
Consensus LogP
0.24
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
Class (SILICOS-IT)
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)
-3.63

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral] 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
P264, P270, P301+P317, P330, and P501 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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