1,3-Propanediamine,N3-(5-chloro-2-benzoxazolyl)-N1,N1-dimethyl-

Modify Date: 2025-09-27 08:37:03

1,3-Propanediamine,N3-(5-chloro-2-benzoxazolyl)-N1,N1-dimethyl- structure	Common Name	1,3-Propanediamine,N3-(5-chloro-2-benzoxazolyl)-N1,N1-dimethyl-
	CAS Number	64037-21-4	Molecular Weight	253.72800
	Density	1.242g/cm3	Boiling Point	354.6ºC at 760mmHg
	Molecular Formula	C₁₂H₁₆ClN₃O	Melting Point	N/A
	MSDS	N/A	Flash Point	168.2ºC

Name	N-(5-chloro-1,3-benzoxazol-2-yl)-N',N'-dimethylpropane-1,3-diamine

Density	1.242g/cm3
Boiling Point	354.6ºC at 760mmHg
Molecular Formula	C₁₂H₁₆ClN₃O
Molecular Weight	253.72800
Flash Point	168.2ºC
Exact Mass	253.09800
PSA	41.30000
LogP	2.91780
Index of Refraction	1.614
InChIKey	UPXNTQIUGPERQJ-UHFFFAOYSA-N
SMILES	CN(C)CCCNc1nc2cc(Cl)ccc2o1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DM4730000

CHEMICAL NAME :: Benzoxazole, 5-chloro-2-(3-(dimethylamino)propyl)amino-

CAS REGISTRY NUMBER :: 64037-21-4

LAST UPDATED :: 199712

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C12-H16-Cl-N3-O

MOLECULAR WEIGHT :: 253.76

WISWESSER LINE NOTATION :: T56 BN DOJ CM3N1&1 HG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >1 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),338,1964

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),337,1964

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 230 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),337,1964

HS Code	2934999090

2,5-Dichloroben...

CAS#:3621-81-6

3-Dimethylamino...

CAS#:109-55-7

1,3-Propanediam...

CAS#:64037-21-4

Literature: Sam,J.; Plampin,J.N. Journal of Pharmaceutical Sciences, 1964 , vol. 53, p. 538 - 544

Precursor 2
CAS#:3621-81-6 2,5-Dichloroben... CAS#:109-55-7 3-Dimethylamino...
DownStream 0

HS Code	2934999090
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.