1-(Isopropylamino)-2-methyl-2-propanol - CAS 85771-09-1

Catalog:	BB037720
Product Name:	1-(Isopropylamino)-2-methyl-2-propanol
CAS:	85771-09-1
Synonyms:	2-methyl-1-(propan-2-ylamino)-2-propanol; 2-methyl-1-(propan-2-ylamino)propan-2-ol

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Computed Properties

IUPAC Name:	2-methyl-1-(propan-2-ylamino)propan-2-ol
Description:	1-(Isopropylamino)-2-methyl-2-propanol (CAS# 85771-09-1) is a reagent used in organic synthesis. Used in the synthesis of progesterone receptor binding ligands.
Molecular Weight:	131.22
Molecular Formula:	C7H17NO
Canonical SMILES:	CC(C)NCC(C)(C)O
InChI:	InChI=1S/C7H17NO/c1-6(2)8-5-7(3,4)9/h6,8-9H,5H2,1-4H3
InChI Key:	SYZDMLOUOSPLHO-UHFFFAOYSA-N
Boiling Point:	197.9 °C at 760 mmHg
Density:	0.869 g/cm³
MDL:	MFCD00086567
LogP:	1.14620

Publication Number	Title	Priority Date
US-2021115037-A1	Substituted 6-azabenzimidazole compounds	20181031
US-2020038403-A1	1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS AND METHODS AND USES THEREFOR	20180803
US-2020039986-A1	2H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS AND METHODS AND USES THEREFOR	20180803
WO-2020028608-A1	1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS AND METHODS AND USES THEREFOR	20180803
WO-2020028610-A1	2H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS AND METHODS AND USES THEREFOR	20180803

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	79
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	131.131014166
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	131.131014166
Rotatable Bond Count:	3
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5