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HCID 4794생성일: 2026년 10월 27일

부탄산,2-아미노-4-(히드록시메틸포스피닐)-,(2S)-

부탄산,2-아미노-4-(히드록시메틸포스피닐)-,(2S)- · L-Glufosinate · L-Glufosinate ammonium · L-Phosphinothricin · Glufosinate Impurity 5 · L-Glufosite · Glufosinate-P · Phosphinothricine

https://huagongshe.com/ko/chemical/4794

식별자 및 물리적 특성

CAS No.	35597-44-5
분자식	C5H12NO4P
평균 분자량	181.13 g/mol
단동위원소 질량	181.05039449 g/mol
SMILES	CP(=O)(O)CCC(N)C(=O)O
InChIKey	IAJOBQBIJHVGMQ-UHFFFAOYSA-N
PubChem CID	4794
ChEMBL	CHEMBL450298
ChEBI	CHEBI:142851
EC No.	257-102-5
DTXSID	DTXSID0043973
현지명	부탄산,2-아미노-4-(히드록시메틸포스피닐)-,(2S)-

화학 및 물리적 성질

XLogP	-5
극성 표면적	101
수소 결합 공여자 수	3
수소 결합 수용자 수	5
회전 가능 결합 수	4
무거운 원자 수	11
형식 전하	0
복잡도	193
농약	HerbicidesActive substance -> EU Pesticides database: Not approvedEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Collision Cross Section	142.7 Å² [M+Na]+ [CCS Type: DTMethod: stepped-field]139.3 Å² [M+H]+
녹는점	209-210 °C
끓는 점	519.1±45.0 °C(Predicted)
밀도	1.378±0.06 g/cm3(Predicted)
pKa(산도 계수)	2.22±0.10(Predicted)
InChI	InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
InChIKey	IAJOBQBIJHVGMQ-BYPYZUCNSA-N
SMILES	C(CP(O)(=O)C)[C@H](N)C(=O)O

안전 및 규제

GHS 분류	DangerH302+H312+H332 (61.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P203, P260, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P308+P316, P317, P318, P319, P321, P330, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H360: May damage fertility or the unborn child [Danger Reproductive toxicity]
규제 정보	Chemical: Butanoic acid, 2-amino-4-(hydroxymethylphosphinyl)-07/25/EC, Reg (EU) 2015/408, Reg. (EU) 2015/404, Reg. (EU) 2022/801, Reg. (EU) No 365/2013, Reg. (EU) No 540/2011
기타 안전 정보	Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and Categories	Acute Tox. 4 (95.7%)Acute toxicity (Oral) - Category 4Reproductive toxicity - Category 1B
건강 영향	Seizuresmuscle weakness (post-status epileptic myopathy)convulsionsand even death. (T10)
독성 요약	Glufosinate irreversibly inhibits the enzyme glutamine synthetase, which decreases ammonia detoxification. Increased ammonia levels lead to impairment of photorespiration and photosynthesis in plants. (T10)
Signs and Symptoms	Nausea, vomiting, and diarrhea that is followed in 24h by impaired respiration. (T10)
Carcinogen Classification	No indication of carcinogenicity to humans (not listed by IARC).
USGS Health-Based Screening Levels for Evaluating Water-Quality	Glufosinate62721Pesticide30Data are for glufosinate-ammonium CASRN 77182822Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

식별자 및 물리적 특성

CAS No.

35597-44-5

분자식

C5H12NO4P

평균 분자량

181.13 g/mol

단동위원소 질량

181.05039449 g/mol

SMILES

CP(=O)(O)CCC(N)C(=O)O

InChIKey

IAJOBQBIJHVGMQ-UHFFFAOYSA-N

PubChem CID

4794

ChEMBL

CHEMBL450298

ChEBI

CHEBI:142851

EC No.

257-102-5

DTXSID

DTXSID0043973

현지명

부탄산,2-아미노-4-(히드록시메틸포스피닐)-,(2S)-

화학 및 물리적 성질

XLogP

-5

극성 표면적

101

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

193

농약

HerbicidesActive substance -> EU Pesticides database: Not approvedEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Collision Cross Section

142.7 Å² [M+Na]+ [CCS Type: DTMethod: stepped-field]139.3 Å² [M+H]+

녹는점

209-210 °C

끓는 점

519.1±45.0 °C(Predicted)

밀도

1.378±0.06 g/cm3(Predicted)

pKa(산도 계수)

2.22±0.10(Predicted)

InChI

InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1

InChIKey

IAJOBQBIJHVGMQ-BYPYZUCNSA-N

SMILES

C(CP(O)(=O)C)[C@H](N)C(=O)O

안전 및 규제

GHS 분류

DangerH302+H312+H332 (61.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P203, P260, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P308+P316, P317, P318, P319, P321, P330, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H360: May damage fertility or the unborn child [Danger Reproductive toxicity]

규제 정보

Chemical: Butanoic acid, 2-amino-4-(hydroxymethylphosphinyl)-07/25/EC, Reg (EU) 2015/408, Reg. (EU) 2015/404, Reg. (EU) 2022/801, Reg. (EU) No 365/2013, Reg. (EU) No 540/2011

기타 안전 정보

Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and Categories

Acute Tox. 4 (95.7%)Acute toxicity (Oral) - Category 4Reproductive toxicity - Category 1B

건강 영향

Seizuresmuscle weakness (post-status epileptic myopathy)convulsionsand even death. (T10)

독성 요약

Glufosinate irreversibly inhibits the enzyme glutamine synthetase, which decreases ammonia detoxification. Increased ammonia levels lead to impairment of photorespiration and photosynthesis in plants. (T10)

Signs and Symptoms

Nausea, vomiting, and diarrhea that is followed in 24h by impaired respiration. (T10)

Carcinogen Classification

No indication of carcinogenicity to humans (not listed by IARC).

USGS Health-Based Screening Levels for Evaluating Water-Quality

Glufosinate62721Pesticide30Data are for glufosinate-ammonium CASRN 77182822Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP