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CAS 1177316-77-6 (2-methoxy-1,1-dimethylethyl)methylamine(SALTDATA: 1HCl 0.15H2O) molecular structure lightbox
CAS RN: 1177316-77-6

(2-methoxy-1,1-dimethylethyl)methylamine(SALTDATA: 1HCl 0.15H2O)

  • Product code: SSC-017569
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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 1177316-77-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1177316-77-6 / 1-methoxy-N,2-dimethylpropan-2-amine

1-Methoxy-N,2-dimethyl-2-propanamine | (1-methoxy-2-methylpropan-2-yl)(methyl)amine | DTXSID301291382

Standard CAS: 1177316-77-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1177316-77-6
Multi CAS
Yes
Molecular Formula
C6H15NO
Molecular Weight
117.190000
Exact Mass
117.115364
SMILES
CC(C)(COC)NC
InChI
InChI=1S/C6H15NO/c1-6(2,7-3)5-8-4/h7H,5H2,1-4H3
InChIKey
PEZCONMNKQLFHS-UHFFFAOYSA-N
Synonyms
1-Methoxy-N,2-dimethyl-2-propanamine (1-methoxy-2-methylpropan-2-yl)(methyl)amine DTXSID301291382 RefChem:433554 DTXCID001721974

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.01
TPSA
21.26

LogP / Solubility

WLOGP
0.63
MLOGP
0.55
XLogP3
0.3
Consensus LogP
0.49
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.31
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)
-2.99

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)
Flammable Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501

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