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[ CAS No. 1072-91-9 ] {[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| 1072-91-9
Chemical Structure| 1072-91-9
Structure of 1072-91-9 * Storage: {[proInfo.prStorage]}

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Product Details of [ 1072-91-9 ]

CAS No. :1072-91-9 MDL No. :MFCD00015536
Formula : C6H10N2 Boiling Point : -
Linear Structure Formula :- InChI Key :HNOQAFMOBRWDKQ-UHFFFAOYSA-N
M.W : 110.16 Pubchem ID :14081
Synonyms :

Calculated chemistry of [ 1072-91-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.5
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 33.42
TPSA : 17.82 ?2

Pharmacokinetics

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) : -6.24 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.69
Log Po/w (XLOGP3) : 1.03
Log Po/w (WLOGP) : 1.04
Log Po/w (MLOGP) : 0.72
Log Po/w (SILICOS-IT) : 1.21
Consensus Log Po/w : 1.14

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.63
Solubility : 2.56 mg/ml ; 0.0232 mol/l
Class : Very soluble
Log S (Ali) : -0.99
Solubility : 11.2 mg/ml ; 0.101 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.51
Solubility : 3.42 mg/ml ; 0.031 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.18

Safety of [ 1072-91-9 ]

Signal Word:Danger Class:4.1
Precautionary Statements:P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313 UN#:1325
Hazard Statements:H228-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1072-91-9 ]

* 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 [ 1072-91-9 ]

[ 1072-91-9 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 58364-79-7 ]
  • [ 1072-91-9 ]
  • [ 85963-51-5 ]
  • [ 52867-42-2 ]
  • 2
  • [ 58364-79-7 ]
  • [ 542-92-7 ]
  • [ 1072-91-9 ]
  • [ 947-57-9 ]
  • [ 52867-42-2 ]
  • 3
  • [ 58364-79-7 ]
  • [ 123-54-6 ]
  • [ 1072-91-9 ]
  • [ 85963-51-5 ]
  • [ 52867-42-2 ]
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