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[ CAS No. 627-37-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 627-37-2
Chemical Structure| 627-37-2
Structure of 627-37-2 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 627-37-2 ]

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Product Citations

Product Details of [ 627-37-2 ]

CAS No. :627-37-2 MDL No. :MFCD00008641
Formula : C4H9N Boiling Point : -
Linear Structure Formula :CH2CHCH2NH(CH3) InChI Key :IOXXVNYDGIXMIP-UHFFFAOYSA-N
M.W : 71.12 Pubchem ID :69391
Synonyms :

Calculated chemistry of [ 627-37-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 5
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.5
Num. rotatable bonds : 2
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 23.67
TPSA : 12.03 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.42 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.68
Log Po/w (XLOGP3) : 0.44
Log Po/w (WLOGP) : 0.39
Log Po/w (MLOGP) : 0.6
Log Po/w (SILICOS-IT) : 0.26
Consensus Log Po/w : 0.67

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 3.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.43
Solubility : 26.7 mg/ml ; 0.375 mol/l
Class : Very soluble
Log S (Ali) : -0.26
Solubility : 39.0 mg/ml ; 0.549 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.03
Solubility : 6.67 mg/ml ; 0.0938 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.02

Safety of [ 627-37-2 ]

Signal Word:Danger Class:3,6.1,8
Precautionary Statements:P210-P261-P280-P301+P310-P305+P351+P338-P310 UN#:3286
Hazard Statements:H225-H301+H311+H331-H314 Packing Group:Ⅱ
GHS Pictogram:

Application In Synthesis of [ 627-37-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 627-37-2 ]

[ 627-37-2 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 627-37-2 ]
  • [ 111771-08-5 ]
  • [ 1105701-46-9 ]
  • 2
  • [ 627-37-2 ]
  • [ 51307-59-6 ]
  • [ 1349708-38-8 ]
  • 3
  • [ 627-37-2 ]
  • [ 40299-87-4 ]
  • 2-(allyl(methyl)amino)-1-morpholinoethanone [ No CAS ]
  • 4
  • [ 627-37-2 ]
  • [ 41014-43-1 ]
  • N-(benzo[d]oxazol-2-ylmethyl)-N-methylprop-2-en-1-amine [ No CAS ]
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Technical Information

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